Summary

SMILES: OC[C@H]1O[C@@H](OC2CC[C@]3(C(C2(C)C)CCC2C3C[C@H](O)[C@H]3[C@]2(C)CC[C@H]3[C@](CCC=C(C)C)(O)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)CO)O
InChI: InChI=1S/C42H72O13/c1-21(2)9-8-14-42(7,51)24-12-15-41(6)23-10-11-29-39(3,4)30(13-16-40(29,5)25(23)17-26(46)31(24)41)54-38-36(35(50)34(49)28(20-45)53-38)55-37-33(48)22(18-43)32(47)27(19-44)52-37/h9,22-38,43-51H,8,10-20H2,1-7H3/t22-,23?,24+,25?,26-,27+,28+,29?,30?,31-,32-,33+,34+,35-,36+,37-,38-,40+,41+,42-/m0/s1
InChIKey: VXIVCXOKABMNOW-MLLGVTEASA-N
DeepSMILES: OC[C@H]O[C@@H]OCCC[C@]CC6C)C))CCCC6C[C@H]O)[C@H][C@]6C)CC[C@H]5[C@]CCC=CC)C)))))O)C))))))))))))))C))))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))CO)))O
Scaffold Graph/Node/Bond level: C1CCC(OC2CCCOC2OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Scaffold Graph/Node level: C1CCC(OC2CCCOC2OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Scaffold Graph level: C1CCC(CC2CCCCC2CC2CCC3C(CCC4C5CCCC5CCC34)C2)CC1
Functional groups: CO; CO[C@@H](C)OC; CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Triterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Dammarane and Protostane triterpenoids

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Synonymous chemical names:
20s-ginsenoside rg3

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External chemical identifiers:
CID:CID_159727

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Chemical structure download