N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide

C177H302N6O130 — CID 159746217

IUPACN-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C(OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4O)C3O)[C@@H](O)C(OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4OC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C73H124N2O55.C55H94N2O40.C49H84N2O35/c1-16(2)55-30(74-17(3)85)41(96)56(26(12-83)112-55)123-64-31(75-18(4)86)42(97)57(27(13-84)120-64)124-69-54(109)59(126-72-63(49(104)38(93)24(10-81)118-72)130-73-62(48(103)37(92)25(11-82)119-73)129-68-52(107)45(100)34(89)21(7-78)115-68)40(95)29(122-69)14-110-65-53(108)58(125-71-61(47(102)36(91)23(9-80)117-71)128-67-51(106)44(99)33(88)20(6-77)114-67)39(94)28(121-65)15-111-70-60(46(101)35(90)22(8-79)116-70)127-66-50(105)43(98)32(87)19(5-76)113-66;1-13(2)43-24(56-14(3)64)32(72)44(20(9-62)85-43)93-49-25(57-15(4)65)33(73)45(21(10-63)90-49)94-54-42(82)47(96-55-48(37(77)29(69)19(8-61)89-55)97-53-40(80)36(76)28(68)18(7-60)88-53)31(71)23(92-54)12-84-51-41(81)46(95-52-39(79)35(75)27(67)17(6-59)87-52)30(70)22(91-51)11-83-50-38(78)34(74)26(66)16(5-58)86-50;1-12(2)39-22(50-13(3)57)29(64)40(18(8-55)76-39)83-44-23(51-14(4)58)30(65)41(19(9-56)80-44)84-49-38(73)43(86-48-36(71)33(68)26(61)17(7-54)79-48)28(63)21(82-49)11-75-46-37(72)42(85-47-35(70)32(67)25(60)16(6-53)78-47)27(62)20(81-46)10-74-45-34(69)31(66)24(59)15(5-52)77-45/h16,19-73,76-84,87-109H,5-15H2,1-4H3,(H,74,85)(H,75,86);13,16-55,58-63,66-82H,5-12H2,1-4H3,(H,56,64)(H,57,65);12,15-49,52-56,59-73H,5-11H2,1-4H3,(H,50,57)(H,51,58)/t19?,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?,52?,53+,54+,55?,56+,57+,58-,59-,60+,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?;16?,17-,18-,19-,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?,52?,53?,54?,55?;15?,16-,17-,18?,19?,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?/m000/s1
InChIKeyNDBOTINGVQQFBF-KMDHUZLNSA-N
MW4594.27 g/mol
LogP-53.73
Rot. Bonds81

About N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide

N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide (PubChem CID 159746217) has the molecular formula C177H302N6O130 and a molecular weight of 4594.27 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
PubChem CID159746217
Molecular FormulaC177H302N6O130
Molecular Weight4594.27 g/mol
Exact Mass4591.72
IUPAC NameN-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C(OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4O)C3O)[C@@H](O)C(OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4OC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C73H124N2O55.C55H94N2O40.C49H84N2O35/c1-16(2)55-30(74-17(3)85)41(96)56(26(12-83)112-55)123-64-31(75-18(4)86)42(97)57(27(13-84)120-64)124-69-54(109)59(126-72-63(49(104)38(93)24(10-81)118-72)130-73-62(48(103)37(92)25(11-82)119-73)129-68-52(107)45(100)34(89)21(7-78)115-68)40(95)29(122-69)14-110-65-53(108)58(125-71-61(47(102)36(91)23(9-80)117-71)128-67-51(106)44(99)33(88)20(6-77)114-67)39(94)28(121-65)15-111-70-60(46(101)35(90)22(8-79)116-70)127-66-50(105)43(98)32(87)19(5-76)113-66;1-13(2)43-24(56-14(3)64)32(72)44(20(9-62)85-43)93-49-25(57-15(4)65)33(73)45(21(10-63)90-49)94-54-42(82)47(96-55-48(37(77)29(69)19(8-61)89-55)97-53-40(80)36(76)28(68)18(7-60)88-53)31(71)23(92-54)12-84-51-41(81)46(95-52-39(79)35(75)27(67)17(6-59)87-52)30(70)22(91-51)11-83-50-38(78)34(74)26(66)16(5-58)86-50;1-12(2)39-22(50-13(3)57)29(64)40(18(8-55)76-39)83-44-23(51-14(4)58)30(65)41(19(9-56)80-44)84-49-38(73)43(86-48-36(71)33(68)26(61)17(7-54)79-48)28(63)21(82-49)11-75-46-37(72)42(85-47-35(70)32(67)25(60)16(6-53)78-47)27(62)20(81-46)10-74-45-34(69)31(66)24(59)15(5-52)77-45/h16,19-73,76-84,87-109H,5-15H2,1-4H3,(H,74,85)(H,75,86);13,16-55,58-63,66-82H,5-12H2,1-4H3,(H,56,64)(H,57,65);12,15-49,52-56,59-73H,5-11H2,1-4H3,(H,50,57)(H,51,58)/t19?,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?,52?,53+,54+,55?,56+,57+,58-,59-,60+,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?;16?,17-,18-,19-,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?,52?,53?,54?,55?;15?,16-,17-,18?,19?,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?/m000/s1
InChIKeyNDBOTINGVQQFBF-KMDHUZLNSA-N
XLogP-53.73
TPSA2144.12 Ų
H-Bond Donors81
H-Bond Acceptors130
Rotatable Bonds81
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004594.27
LogP ≤ 5-53.73
H-Bond Donors ≤ 581
H-Bond Acceptors ≤ 10130

Analyze N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,4R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-4-[(2R,5S,6S)-3-[(2R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-4-[(2R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
CID 153290329
N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
CID 153491009
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91846571
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91859564
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91857571
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71297340
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91858447
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91847701
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71298029
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71297920
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91847483
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 146672223

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide (CID 159746217) is N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide is CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C(OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4O)C3O)[C@@H](O)C(OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4OC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)C(O)C4OC4O[C@@H](CO)[C@@H](O)C(O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3OC3O[C@@H](CO)[C@@H](O)C(O)C3O)[C@H]2O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The InChIKey is NDBOTINGVQQFBF-KMDHUZLNSA-N. The full InChI is InChI=1S/C73H124N2O55.C55H94N2O40.C49H84N2O35/c1-16(2)55-30(74-17(3)85)41(96)56(26(12-83)112-55)123-64-31(75-18(4)86)42(97)57(27(13-84)120-64)124-69-54(109)59(126-72-63(49(104)38(93)24(10-81)118-72)130-73-62(48(103)37(92)25(11-82)119-73)129-68-52(107)45(100)34(89)21(7-78)115-68)40(95)29(122-69)14-110-65-53(108)58(125-71-61(47(102)36(91)23(9-80)117-71)128-67-51(106)44(99)33(88)20(6-77)114-67)39(94)28(121-65)15-111-70-60(46(101)35(90)22(8-79)116-70)127-66-50(105)43(98)32(87)19(5-76)113-66;1-13(2)43-24(56-14(3)64)32(72)44(20(9-62)85-43)93-49-25(57-15(4)65)33(73)45(21(10-63)90-49)94-54-42(82)47(96-55-48(37(77)29(69)19(8-61)89-55)97-53-40(80)36(76)28(68)18(7-60)88-53)31(71)23(92-54)12-84-51-41(81)46(95-52-39(79)35(75)27(67)17(6-59)87-52)30(70)22(91-51)11-83-50-38(78)34(74)26(66)16(5-58)86-50;1-12(2)39-22(50-13(3)57)29(64)40(18(8-55)76-39)83-44-23(51-14(4)58)30(65)41(19(9-56)80-44)84-49-38(73)43(86-48-36(71)33(68)26(61)17(7-54)79-48)28(63)21(82-49)11-75-46-37(72)42(85-47-35(70)32(67)25(60)16(6-53)78-47)27(62)20(81-46)10-74-45-34(69)31(66)24(59)15(5-52)77-45/h16,19-73,76-84,87-109H,5-15H2,1-4H3,(H,74,85)(H,75,86);13,16-55,58-63,66-82H,5-12H2,1-4H3,(H,56,64)(H,57,65);12,15-49,52-56,59-73H,5-11H2,1-4H3,(H,50,57)(H,51,58)/t19?,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?,52?,53+,54+,55?,56+,57+,58-,59-,60+,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?;16?,17-,18-,19-,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?,52?,53?,54?,55?;15?,16-,17-,18?,19?,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?/m000/s1.
What are the key properties of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide has a molecular weight of 4594.27 g/mol, XLogP of -53.73, 81 rotatable bonds, 81 hydrogen bond donors, and 130 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-3-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide;N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-6-[[(3R,4S,5R)-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide is sourced from PubChem (CID 159746217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).