Summary
SMILES: OC[C@H]1O[C@@H](OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(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)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1O)O)OInChI: InChI=1S/C54H92O22/c1-23(2)11-10-15-54(9,76-48-44(68)40(64)37(61)29(73-48)22-69-46-42(66)38(62)34(58)24(3)70-46)25-12-17-53(8)33(25)26(57)19-31-51(6)16-14-32(50(4,5)30(51)13-18-52(31,53)7)74-49-45(41(65)36(60)28(21-56)72-49)75-47-43(67)39(63)35(59)27(20-55)71-47/h11,24-49,55-68H,10,12-22H2,1-9H3/t24-,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+,51?,52?,53?,54?/m1/s1InChIKey: YQKCHRBAJSATCG-MGQUPYLNSA-N
DeepSMILES: OC[C@H]O[C@@H]OCCCCCC6C)C))CCCC6CCO)CC6C)CCC5CO[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[C@@H]O[C@H]CO))[C@H][C@H][C@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6OCCCC6OC6CCCCO6)CC5CCC43)O2)OC1
Scaffold Graph/Node level: C1CCC(OCC2CCCC(OCC3CCC4C3CCC3C5CCC(OC6OCCCC6OC6CCCCO6)CC5CCC43)O2)OC1
Scaffold Graph level: C1CCC(CCC2CCCC(CCC3CCC4C3CCC3C5CCC(CC6CCCCC6CC6CCCCC6)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 v
Chemical structure download
