Summary

SMILES: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey: CKUVNOCSBYYHIS-IRFFNABBSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6C[C@@H]O)[C@H][C@@]6C)CC[C@@H]5[C@]CCC=CC)C)))))O)C))))))))))C)))))C))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Scaffold Graph/Node level: C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Scaffold Graph level: C1CCC(CC2CCC3C(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: Terpene glycosides
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Dammarane and Protostane triterpenoids

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Synonymous chemical names:
20(s)-ginsenoside rh2, ginsenoside rh2, Ginsenoside Rh2, Ginsenoside Rh2,20(R)-

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External chemical identifiers:
CID:CID_119307; ChEMBL:CHEMBL1783834; ChEBI:CHEBI:77147; ZINC:ZINC000072129809; FDASRS:0JU44A5KWG; MolPort-006-069-119

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Chemical structure download