undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate

C220H356N5Na11O157 — CID 165059175

IUPACundecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate
SMILESCC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(NC(C)=O)[C@H](O[C@H]4C(CO)O[C@@H](O[C@@H]5C(CO)OC(C)C(O)[C@H]5O)C(O)[C@H]4O[C@]4(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O4)OC(CO)[C@@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C67H111NO48.C57H95NO41.C55H92N2O39.C41H69NO29.11Na/c1-19-25(78)7-64(60(94)95,111-48(19)39(85)29(82)11-69)109-33(15-73)43(89)50-21(3)27(80)9-66(113-50,62(98)99)115-55-42(88)32(14-72)104-58(46(55)92)108-54-37(68-24(6)77)57(103-31(13-71)41(54)87)107-53-36(18-76)105-59(106-52-35(17-75)102-23(5)38(84)45(52)91)47(93)56(53)116-67(63(100)101)10-28(81)22(4)51(114-67)44(90)34(16-74)110-65(61(96)97)8-26(79)20(2)49(112-65)40(86)30(83)12-70;1-16-21(66)6-55(52(81)82,95-41(16)33(73)24(69)9-59)87-15-30-37(77)46(94-50-39(79)47(36(76)27(12-62)89-50)98-56(53(83)84)7-22(67)17(2)42(96-56)34(74)25(70)10-60)31(58-20(5)65)49(91-30)93-45-29(14-64)90-51(92-44-28(13-63)88-19(4)32(72)38(44)78)40(80)48(45)99-57(54(85)86)8-23(68)18(3)43(97-57)35(75)26(71)11-61;1-15-20(67)6-54(52(80)81,93-40(15)32(72)22(69)8-58)95-46-38(78)50(89-42-26(12-62)84-17(3)31(71)37(42)77)87-28(14-64)44(46)91-49-30(57-19(5)66)45(35(75)25(11-61)86-49)92-51-39(79)47(96-55(53(82)83)7-21(68)16(2)41(94-55)33(73)23(70)9-59)43(27(13-63)88-51)90-48-29(56-18(4)65)36(76)34(74)24(10-60)85-48;1-12-16(49)5-40(38(59)60,69-31(12)25(53)18(51)7-43)68-20(9-45)27(55)32-13(2)17(50)6-41(70-32,39(61)62)71-35-30(58)37(66-33-21(10-46)63-14(3)24(52)29(33)57)65-22(11-47)34(35)67-36-23(42-15(4)48)28(56)26(54)19(8-44)64-36;;;;;;;;;;;/h19-23,25-59,69-76,78-93H,7-18H2,1-6H3,(H,68,77)(H,94,95)(H,96,97)(H,98,99)(H,100,101);16-19,21-51,59-64,66-80H,6-15H2,1-5H3,(H,58,65)(H,81,82)(H,83,84)(H,85,86);15-17,20-51,58-64,67-79H,6-14H2,1-5H3,(H,56,65)(H,57,66)(H,80,81)(H,82,83);12-14,16-37,43-47,49-58H,5-11H2,1-4H3,(H,42,48)(H,59,60)(H,61,62);;;;;;;;;;;/q;;;;11*+1/p-11/t19-,20-,21-,22-,23?,25?,26?,27?,28?,29-,30-,31?,32?,33-,34-,35?,36?,37?,38?,39-,40-,41+,42+,43-,44-,45-,46?,47?,48-,49-,50-,51-,52-,53+,54-,55+,56-,57+,58+,59+,64-,65-,66+,67+;16-,17-,18-,19?,21-,22?,23?,24-,25-,26-,27?,28?,29?,30?,31?,32?,33-,34-,35-,36+,37+,38-,39?,40?,41?,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,55-,56+,57+;15-,16-,17?,20?,21?,22-,23-,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34+,35+,36-,37-,38?,39?,40-,41-,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,54+,55+;12-,13-,14?,16?,17?,18-,19?,20-,21?,22?,23?,24?,25-,26+,27-,28-,29-,30?,31-,32-,33-,34+,35-,36+,37+,40-,41+;;;;;;;;;;;/m1111.........../s1
InChIKeyQXOOEHJGTQTKIA-ULURXAOWSA-C
MW5836.04 g/mol
LogP-100.28
Rot. Bonds111

About undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate

undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate (PubChem CID 165059175) has the molecular formula C220H356N5Na11O157 and a molecular weight of 5836.04 g/mol. Its IUPAC name is undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate.

Molecular Properties

Compound Nameundecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate
PubChem CID165059175
Molecular FormulaC220H356N5Na11O157
Molecular Weight5836.04 g/mol
Exact Mass5832.89
IUPAC Nameundecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate
SMILESCC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(NC(C)=O)[C@H](O[C@H]4C(CO)O[C@@H](O[C@@H]5C(CO)OC(C)C(O)[C@H]5O)C(O)[C@H]4O[C@]4(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O4)OC(CO)[C@@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C67H111NO48.C57H95NO41.C55H92N2O39.C41H69NO29.11Na/c1-19-25(78)7-64(60(94)95,111-48(19)39(85)29(82)11-69)109-33(15-73)43(89)50-21(3)27(80)9-66(113-50,62(98)99)115-55-42(88)32(14-72)104-58(46(55)92)108-54-37(68-24(6)77)57(103-31(13-71)41(54)87)107-53-36(18-76)105-59(106-52-35(17-75)102-23(5)38(84)45(52)91)47(93)56(53)116-67(63(100)101)10-28(81)22(4)51(114-67)44(90)34(16-74)110-65(61(96)97)8-26(79)20(2)49(112-65)40(86)30(83)12-70;1-16-21(66)6-55(52(81)82,95-41(16)33(73)24(69)9-59)87-15-30-37(77)46(94-50-39(79)47(36(76)27(12-62)89-50)98-56(53(83)84)7-22(67)17(2)42(96-56)34(74)25(70)10-60)31(58-20(5)65)49(91-30)93-45-29(14-64)90-51(92-44-28(13-63)88-19(4)32(72)38(44)78)40(80)48(45)99-57(54(85)86)8-23(68)18(3)43(97-57)35(75)26(71)11-61;1-15-20(67)6-54(52(80)81,93-40(15)32(72)22(69)8-58)95-46-38(78)50(89-42-26(12-62)84-17(3)31(71)37(42)77)87-28(14-64)44(46)91-49-30(57-19(5)66)45(35(75)25(11-61)86-49)92-51-39(79)47(96-55(53(82)83)7-21(68)16(2)41(94-55)33(73)23(70)9-59)43(27(13-63)88-51)90-48-29(56-18(4)65)36(76)34(74)24(10-60)85-48;1-12-16(49)5-40(38(59)60,69-31(12)25(53)18(51)7-43)68-20(9-45)27(55)32-13(2)17(50)6-41(70-32,39(61)62)71-35-30(58)37(66-33-21(10-46)63-14(3)24(52)29(33)57)65-22(11-47)34(35)67-36-23(42-15(4)48)28(56)26(54)19(8-44)64-36;;;;;;;;;;;/h19-23,25-59,69-76,78-93H,7-18H2,1-6H3,(H,68,77)(H,94,95)(H,96,97)(H,98,99)(H,100,101);16-19,21-51,59-64,66-80H,6-15H2,1-5H3,(H,58,65)(H,81,82)(H,83,84)(H,85,86);15-17,20-51,58-64,67-79H,6-14H2,1-5H3,(H,56,65)(H,57,66)(H,80,81)(H,82,83);12-14,16-37,43-47,49-58H,5-11H2,1-4H3,(H,42,48)(H,59,60)(H,61,62);;;;;;;;;;;/q;;;;11*+1/p-11/t19-,20-,21-,22-,23?,25?,26?,27?,28?,29-,30-,31?,32?,33-,34-,35?,36?,37?,38?,39-,40-,41+,42+,43-,44-,45-,46?,47?,48-,49-,50-,51-,52-,53+,54-,55+,56-,57+,58+,59+,64-,65-,66+,67+;16-,17-,18-,19?,21-,22?,23?,24-,25-,26-,27?,28?,29?,30?,31?,32?,33-,34-,35-,36+,37+,38-,39?,40?,41?,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,55-,56+,57+;15-,16-,17?,20?,21?,22-,23-,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34+,35+,36-,37-,38?,39?,40-,41-,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,54+,55+;12-,13-,14?,16?,17?,18-,19?,20-,21?,22?,23?,24?,25-,26+,27-,28-,29-,30?,31-,32-,33-,34+,35-,36+,37+,40-,41+;;;;;;;;;;;/m1111.........../s1
InChIKeyQXOOEHJGTQTKIA-ULURXAOWSA-C
XLogP-100.28
TPSA2666.83 Ų
H-Bond Donors85
H-Bond Acceptors157
Rotatable Bonds111
Heavy Atoms393
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005836.04
LogP ≤ 5-100.28
H-Bond Donors ≤ 585
H-Bond Acceptors ≤ 10157

Analyze undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate with MolForge

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Related Compounds

(2S,4R,5R)-2-[(2R,4S,5S)-2-[(2S,4R,5S)-3-acetamido-2-[(2S,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 159141045
sodium;(2R,4R,5R)-2-[[(3R,4R,6R)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;N-[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(3S)-4-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-methylbutan-2-one;(2S,5S,6S)-2-[(3S,4R)-2-(hydroxymethyl)-5,6-dimethyl-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 160703906
sodium;(2S,5R,6R)-2-[(3S,4R,6S)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(3S,4R,6S)-2-(hydroxymethyl)-4-methoxy-6-propan-2-yloxane-3,5-diol
CID 162114417
(2S,4R,5R)-2-[(2S,4S,5S)-2-[(2S,4S,5R)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(methoxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 160766276
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 156614412
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 176512198
(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 162038109
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 176512638
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 139600864
sodium (2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5S)-3-acetamido-2-[(2R,4S,5S)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 172642848
[(2S,4R,5R)-2-[(2S,4S)-2-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[(2R,4R,5R)-2-[[(4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 157406984
(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-2-carboxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-2-[(2R,4S,5R,6R)-2-carboxy-6-[(1R,2R)-2-[(2R,4S,5R,6R)-2-carboxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4,5-dihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 156617405

Frequently Asked Questions

What is the IUPAC name of undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate?
The IUPAC name of undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate (CID 165059175) is undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate.
What is the SMILES notation for undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate?
The canonical SMILES for undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate is CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(CO)OC(C)C(O)[C@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)C1O.CC(=O)NC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(NC(C)=O)[C@H](O[C@H]4C(CO)O[C@@H](O[C@@H]5C(CO)OC(C)C(O)[C@H]5O)C(O)[C@H]4O[C@]4(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O4)OC(CO)[C@@H]3O)C(O)[C@H]2O[C@]2(C(=O)[O-])CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O2)OC(CO)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate?
The InChIKey is QXOOEHJGTQTKIA-ULURXAOWSA-C. The full InChI is InChI=1S/C67H111NO48.C57H95NO41.C55H92N2O39.C41H69NO29.11Na/c1-19-25(78)7-64(60(94)95,111-48(19)39(85)29(82)11-69)109-33(15-73)43(89)50-21(3)27(80)9-66(113-50,62(98)99)115-55-42(88)32(14-72)104-58(46(55)92)108-54-37(68-24(6)77)57(103-31(13-71)41(54)87)107-53-36(18-76)105-59(106-52-35(17-75)102-23(5)38(84)45(52)91)47(93)56(53)116-67(63(100)101)10-28(81)22(4)51(114-67)44(90)34(16-74)110-65(61(96)97)8-26(79)20(2)49(112-65)40(86)30(83)12-70;1-16-21(66)6-55(52(81)82,95-41(16)33(73)24(69)9-59)87-15-30-37(77)46(94-50-39(79)47(36(76)27(12-62)89-50)98-56(53(83)84)7-22(67)17(2)42(96-56)34(74)25(70)10-60)31(58-20(5)65)49(91-30)93-45-29(14-64)90-51(92-44-28(13-63)88-19(4)32(72)38(44)78)40(80)48(45)99-57(54(85)86)8-23(68)18(3)43(97-57)35(75)26(71)11-61;1-15-20(67)6-54(52(80)81,93-40(15)32(72)22(69)8-58)95-46-38(78)50(89-42-26(12-62)84-17(3)31(71)37(42)77)87-28(14-64)44(46)91-49-30(57-19(5)66)45(35(75)25(11-61)86-49)92-51-39(79)47(96-55(53(82)83)7-21(68)16(2)41(94-55)33(73)23(70)9-59)43(27(13-63)88-51)90-48-29(56-18(4)65)36(76)34(74)24(10-60)85-48;1-12-16(49)5-40(38(59)60,69-31(12)25(53)18(51)7-43)68-20(9-45)27(55)32-13(2)17(50)6-41(70-32,39(61)62)71-35-30(58)37(66-33-21(10-46)63-14(3)24(52)29(33)57)65-22(11-47)34(35)67-36-23(42-15(4)48)28(56)26(54)19(8-44)64-36;;;;;;;;;;;/h19-23,25-59,69-76,78-93H,7-18H2,1-6H3,(H,68,77)(H,94,95)(H,96,97)(H,98,99)(H,100,101);16-19,21-51,59-64,66-80H,6-15H2,1-5H3,(H,58,65)(H,81,82)(H,83,84)(H,85,86);15-17,20-51,58-64,67-79H,6-14H2,1-5H3,(H,56,65)(H,57,66)(H,80,81)(H,82,83);12-14,16-37,43-47,49-58H,5-11H2,1-4H3,(H,42,48)(H,59,60)(H,61,62);;;;;;;;;;;/q;;;;11*+1/p-11/t19-,20-,21-,22-,23?,25?,26?,27?,28?,29-,30-,31?,32?,33-,34-,35?,36?,37?,38?,39-,40-,41+,42+,43-,44-,45-,46?,47?,48-,49-,50-,51-,52-,53+,54-,55+,56-,57+,58+,59+,64-,65-,66+,67+;16-,17-,18-,19?,21-,22?,23?,24-,25-,26-,27?,28?,29?,30?,31?,32?,33-,34-,35-,36+,37+,38-,39?,40?,41?,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,55-,56+,57+;15-,16-,17?,20?,21?,22-,23-,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34+,35+,36-,37-,38?,39?,40-,41-,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,54+,55+;12-,13-,14?,16?,17?,18-,19?,20-,21?,22?,23?,24?,25-,26+,27-,28-,29-,30?,31-,32-,33-,34+,35-,36+,37+,40-,41+;;;;;;;;;;;/m1111.........../s1.
What are the key properties of undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate?
undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate has a molecular weight of 5836.04 g/mol, XLogP of -100.28, 111 rotatable bonds, 85 hydrogen bond donors, and 157 hydrogen bond acceptors.
Where does this data come from?
All data for undecasodium;(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate;(2R,4R,5R)-2-[[(3R,4R,6S)-5-acetamido-6-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,4S,5S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2R,4R,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2S,5R,6R)-2-[(2S,4R,5S)-5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,5R,6R)-2-carboxylato-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-methyloxane-2-carboxylate is sourced from PubChem (CID 165059175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).