N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane

C297H490N24O141 — CID 158466279

IUPACN-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane
SMILESC.C.C.C.C.CCCCCC/C=C\CCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCC#CCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(O)O[C@H]4CC)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6OC)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1
InChIInChI=1S/C63H103N5O31.C62H101N5O31.C62H99N5O31.C56H91N5O27.C49H76N4O21.5CH4/c1-8-9-10-11-12-13-14-15-16-20-88-33-19-17-18-32(21-33)57(85)68-40-46(79)45(78)34(22-69)92-59(40)96-52-35(23-70)93-60(41(48(52)81)65-29(4)74)97-53-36(24-71)94-61(42(49(53)82)66-30(5)75)98-54-37(25-72)95-62(43(50(54)83)67-31(6)76)99-55-38(91-58(86)39(47(55)80)64-28(3)73)26-89-63-56(87-7)51(84)44(77)27(2)90-63;2*1-7-8-9-10-11-12-13-14-15-19-87-32-18-16-17-31(20-32)56(85)67-39-45(78)44(77)33(21-68)91-58(39)95-52-34(22-69)92-59(40(47(52)80)64-28(4)73)96-53-35(23-70)93-60(41(48(53)81)65-29(5)74)97-54-36(24-71)94-61(42(49(54)82)66-30(6)75)98-55-37(90-57(86)38(46(55)79)63-27(3)72)25-88-62-51(84)50(83)43(76)26(2)89-62;1-6-7-8-9-10-11-12-13-14-18-79-30-17-15-16-29(19-30)51(77)61-37-42(72)41(71)31(20-62)81-53(37)86-48-33(22-64)83-55(39(44(48)74)59-27(4)69)88-50-35(24-66)84-56(40(46(50)76)60-28(5)70)87-49-34(23-65)82-54(38(45(49)75)58-26(3)68)85-47-32(21-63)80-52(78)36(43(47)73)57-25(2)67;1-6-8-9-10-11-12-13-14-15-19-67-28-18-16-17-27(20-28)45(65)53-34-38(61)37(60)30(21-54)69-47(34)73-43-31(22-55)71-49(36(41(43)64)52-26(5)59)74-44-32(23-56)70-48(35(40(44)63)51-25(4)58)72-42-29(7-2)68-46(66)33(39(42)62)50-24(3)57;;;;;/h17-19,21,27,34-56,58-63,69-72,77-84,86H,8-16,20,22-26H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,85);16-18,20,26,33-55,57-62,68-71,76-84,86H,7-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);12-13,16-18,20,26,33-55,57-62,68-71,76-84,86H,7-11,14-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);15-17,19,31-50,52-56,62-66,71-76,78H,6-14,18,20-24H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,77);16-18,20,29-44,46-49,54-56,60-64,66H,6-11,14-15,19,21-23H2,1-5H3,(H,50,57)(H,51,58)(H,52,59)(H,53,65);5*1H4/b;;13-12-;;;;;;;/t27?,34?,35-,36?,37-,38?,39-,40-,41?,42-,43?,44?,45+,46?,47-,48?,49-,50?,51-,52+,53?,54+,55?,56+,58?,59-,60?,61-,62?,63+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46+,47?,48+,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46-,47?,48-,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;31?,32?,33-,34-,35?,36-,37-,38?,39?,40-,41+,42?,43+,44?,45?,46+,47?,48+,49+,50?,52?,53-,54?,55?,56-;29-,30?,31-,32?,33?,34-,35-,36?,37+,38?,39?,40-,41?,42+,43+,44?,46?,47-,48-,49?;;;;;/m00000...../s1
InChIKeyHFUCVMVDUWVWBE-JSEBGWMSSA-N
MW6653.21 g/mol
LogP-27.17
Rot. Bonds149

About N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane

N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane (PubChem CID 158466279) has the molecular formula C297H490N24O141 and a molecular weight of 6653.21 g/mol. Its IUPAC name is N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane.

Molecular Properties

Compound NameN-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane
PubChem CID158466279
Molecular FormulaC297H490N24O141
Molecular Weight6653.21 g/mol
Exact Mass6649.19
IUPAC NameN-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane
SMILESC.C.C.C.C.CCCCCC/C=C\CCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCC#CCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(O)O[C@H]4CC)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6OC)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1
InChIInChI=1S/C63H103N5O31.C62H101N5O31.C62H99N5O31.C56H91N5O27.C49H76N4O21.5CH4/c1-8-9-10-11-12-13-14-15-16-20-88-33-19-17-18-32(21-33)57(85)68-40-46(79)45(78)34(22-69)92-59(40)96-52-35(23-70)93-60(41(48(52)81)65-29(4)74)97-53-36(24-71)94-61(42(49(53)82)66-30(5)75)98-54-37(25-72)95-62(43(50(54)83)67-31(6)76)99-55-38(91-58(86)39(47(55)80)64-28(3)73)26-89-63-56(87-7)51(84)44(77)27(2)90-63;2*1-7-8-9-10-11-12-13-14-15-19-87-32-18-16-17-31(20-32)56(85)67-39-45(78)44(77)33(21-68)91-58(39)95-52-34(22-69)92-59(40(47(52)80)64-28(4)73)96-53-35(23-70)93-60(41(48(53)81)65-29(5)74)97-54-36(24-71)94-61(42(49(54)82)66-30(6)75)98-55-37(90-57(86)38(46(55)79)63-27(3)72)25-88-62-51(84)50(83)43(76)26(2)89-62;1-6-7-8-9-10-11-12-13-14-18-79-30-17-15-16-29(19-30)51(77)61-37-42(72)41(71)31(20-62)81-53(37)86-48-33(22-64)83-55(39(44(48)74)59-27(4)69)88-50-35(24-66)84-56(40(46(50)76)60-28(5)70)87-49-34(23-65)82-54(38(45(49)75)58-26(3)68)85-47-32(21-63)80-52(78)36(43(47)73)57-25(2)67;1-6-8-9-10-11-12-13-14-15-19-67-28-18-16-17-27(20-28)45(65)53-34-38(61)37(60)30(21-54)69-47(34)73-43-31(22-55)71-49(36(41(43)64)52-26(5)59)74-44-32(23-56)70-48(35(40(44)63)51-25(4)58)72-42-29(7-2)68-46(66)33(39(42)62)50-24(3)57;;;;;/h17-19,21,27,34-56,58-63,69-72,77-84,86H,8-16,20,22-26H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,85);16-18,20,26,33-55,57-62,68-71,76-84,86H,7-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);12-13,16-18,20,26,33-55,57-62,68-71,76-84,86H,7-11,14-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);15-17,19,31-50,52-56,62-66,71-76,78H,6-14,18,20-24H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,77);16-18,20,29-44,46-49,54-56,60-64,66H,6-11,14-15,19,21-23H2,1-5H3,(H,50,57)(H,51,58)(H,52,59)(H,53,65);5*1H4/b;;13-12-;;;;;;;/t27?,34?,35-,36?,37-,38?,39-,40-,41?,42-,43?,44?,45+,46?,47-,48?,49-,50?,51-,52+,53?,54+,55?,56+,58?,59-,60?,61-,62?,63+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46+,47?,48+,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46-,47?,48-,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;31?,32?,33-,34-,35?,36-,37-,38?,39?,40-,41+,42?,43+,44?,45?,46+,47?,48+,49+,50?,52?,53-,54?,55?,56-;29-,30?,31-,32?,33?,34-,35-,36?,37+,38?,39?,40-,41?,42+,43+,44?,46?,47-,48-,49?;;;;;/m00000...../s1
InChIKeyHFUCVMVDUWVWBE-JSEBGWMSSA-N
XLogP-27.17
TPSA2460.31 Ų
H-Bond Donors86
H-Bond Acceptors141
Rotatable Bonds149
Heavy Atoms462
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006653.21
LogP ≤ 5-27.17
H-Bond Donors ≤ 586
H-Bond Acceptors ≤ 10141

Analyze N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane with MolForge

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Related Compounds

N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide
CID 159083941
sodium;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;[(2S,3S)-5-acetamido-3-[(2S,3S,4R)-3-acetamido-5-[(5S,6S)-3-acetamido-5-[(3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-undec-4-ynoxybenzoyl)amino]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl sulfate
CID 158694404
N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 140918361
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 157116011
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 155646095
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 118369944
N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-enoxybenzamide
CID 91164671
N-[(3R,4R,5R)-2-[(2R,3S)-5-acetamido-6-[(4R,5R,6S)-5-acetamido-6-[(2R,3S)-5-acetamido-6-[(4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2S,3S,4R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 59310692
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide
CID 153454985
N-[(2S,3S,5S)-2-[(3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(3S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide
CID 153305690
N-[(2S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide
CID 159373170
sodium;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;[(2S,3S)-5-acetamido-3-[(2S,3S,4R)-3-acetamido-5-[(5S,6S)-3-acetamido-5-[(3S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-undec-4-ynoxybenzoyl)amino]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl sulfate
CID 159971918

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane?
The IUPAC name of N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane (CID 158466279) is N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane.
What is the SMILES notation for N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane?
The canonical SMILES for N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane is C.C.C.C.C.CCCCCC/C=C\CCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCC#CCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(O)O[C@H]4CC)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6O)OC(O)[C@@H](NC(C)=O)[C@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@H]3O)O[C@H]2CO)c1.CCCCCCCCCCCOc1cccc(C(=O)N[C@H]2C(O)[C@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(NC(C)=O)C(OC3C(CO)O[C@@H](O[C@H]4C(O)C(NC(C)=O)C(OC5C(CO[C@@H]6OC(C)C(O)[C@H](O)[C@H]6OC)OC(O)[C@@H](NC(C)=O)[C@@H]5O)O[C@H]4CO)[C@@H](NC(C)=O)[C@@H]3O)O[C@H]2CO)c1.
What is the InChIKey of N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane?
The InChIKey is HFUCVMVDUWVWBE-JSEBGWMSSA-N. The full InChI is InChI=1S/C63H103N5O31.C62H101N5O31.C62H99N5O31.C56H91N5O27.C49H76N4O21.5CH4/c1-8-9-10-11-12-13-14-15-16-20-88-33-19-17-18-32(21-33)57(85)68-40-46(79)45(78)34(22-69)92-59(40)96-52-35(23-70)93-60(41(48(52)81)65-29(4)74)97-53-36(24-71)94-61(42(49(53)82)66-30(5)75)98-54-37(25-72)95-62(43(50(54)83)67-31(6)76)99-55-38(91-58(86)39(47(55)80)64-28(3)73)26-89-63-56(87-7)51(84)44(77)27(2)90-63;2*1-7-8-9-10-11-12-13-14-15-19-87-32-18-16-17-31(20-32)56(85)67-39-45(78)44(77)33(21-68)91-58(39)95-52-34(22-69)92-59(40(47(52)80)64-28(4)73)96-53-35(23-70)93-60(41(48(53)81)65-29(5)74)97-54-36(24-71)94-61(42(49(54)82)66-30(6)75)98-55-37(90-57(86)38(46(55)79)63-27(3)72)25-88-62-51(84)50(83)43(76)26(2)89-62;1-6-7-8-9-10-11-12-13-14-18-79-30-17-15-16-29(19-30)51(77)61-37-42(72)41(71)31(20-62)81-53(37)86-48-33(22-64)83-55(39(44(48)74)59-27(4)69)88-50-35(24-66)84-56(40(46(50)76)60-28(5)70)87-49-34(23-65)82-54(38(45(49)75)58-26(3)68)85-47-32(21-63)80-52(78)36(43(47)73)57-25(2)67;1-6-8-9-10-11-12-13-14-15-19-67-28-18-16-17-27(20-28)45(65)53-34-38(61)37(60)30(21-54)69-47(34)73-43-31(22-55)71-49(36(41(43)64)52-26(5)59)74-44-32(23-56)70-48(35(40(44)63)51-25(4)58)72-42-29(7-2)68-46(66)33(39(42)62)50-24(3)57;;;;;/h17-19,21,27,34-56,58-63,69-72,77-84,86H,8-16,20,22-26H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,85);16-18,20,26,33-55,57-62,68-71,76-84,86H,7-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);12-13,16-18,20,26,33-55,57-62,68-71,76-84,86H,7-11,14-15,19,21-25H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,67,85);15-17,19,31-50,52-56,62-66,71-76,78H,6-14,18,20-24H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,77);16-18,20,29-44,46-49,54-56,60-64,66H,6-11,14-15,19,21-23H2,1-5H3,(H,50,57)(H,51,58)(H,52,59)(H,53,65);5*1H4/b;;13-12-;;;;;;;/t27?,34?,35-,36?,37-,38?,39-,40-,41?,42-,43?,44?,45+,46?,47-,48?,49-,50?,51-,52+,53?,54+,55?,56+,58?,59-,60?,61-,62?,63+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46+,47?,48+,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;26?,33?,34-,35?,36-,37?,38-,39-,40?,41-,42?,43?,44+,45?,46-,47?,48-,49?,50-,51+,52+,53?,54+,55?,57?,58-,59?,60-,61?,62+;31?,32?,33-,34-,35?,36-,37-,38?,39?,40-,41+,42?,43+,44?,45?,46+,47?,48+,49+,50?,52?,53-,54?,55?,56-;29-,30?,31-,32?,33?,34-,35-,36?,37+,38?,39?,40-,41?,42+,43+,44?,46?,47-,48-,49?;;;;;/m00000...../s1.
What are the key properties of N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane?
N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane has a molecular weight of 6653.21 g/mol, XLogP of -27.17, 149 rotatable bonds, 86 hydrogen bond donors, and 141 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4S,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide;N-[(2S,3S,5S)-2-[(2S,3S)-5-acetamido-6-[(4S,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-2-ethyl-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;methane is sourced from PubChem (CID 158466279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).