Summary
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2O[C@H](C)[C@@H]([C@H]([C@H]2O)O)O)OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3[C@@]2(C)CCC3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C60H102O26/c1-24(2)12-11-16-60(10,86-54-49(76)44(71)39(66)30(82-54)22-77-51-46(73)41(68)36(63)25(3)79-51)27-13-18-59(9)35(27)28(62)20-33-57(7)17-15-34(56(5,6)32(57)14-19-58(33,59)8)84-55-50(85-53-48(75)43(70)38(65)29(21-61)81-53)45(72)40(67)31(83-55)23-78-52-47(74)42(69)37(64)26(4)80-52/h12,25-55,61-76H,11,13-23H2,1-10H3/t25-,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+,57?,58?,59-,60+/m1/s1InChIKey: GUHIVRGDCPDENT-PFXBZQTDSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@H][C@@H]O[C@@H][C@H][C@@H]6O))O))CO[C@@H]O[C@H]C)[C@@H][C@H][C@H]6O))O))O)))))))))OCCCCCC6C)C))CCCC6CCO)C[C@@]6C)CCC5[C@@]O[C@@H]O[C@H]CO[C@@H]O[C@H]C)[C@@H][C@H][C@H]6O))O))O)))))))[C@H][C@@H][C@H]6O))O))O))))))CCC=CC)C)))))C))))))))))C)))))C)))))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6OC(COC7CCCCO7)CCC6OC6CCCCO6)CC5CCC43)O2)OC1
Scaffold Graph/Node level: C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6OC(COC7CCCCO7)CCC6OC6CCCCO6)CC5CCC43)O2)OC1
Scaffold Graph level: C1CCC(CCC2CCCC(CCC3CCC4C3CCC3C5CCC(CC6CC(CCC7CCCCC7)CCC6CC6CCCCC6)CC5CCC43)C2)CC1
Functional groups: CC=C(C)C; CO; CO[C@@H](C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Triterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Dammarane and Protostane triterpenoids
Synonymous chemical names:gypenoside ii
Chemical structure download
