Summary

SMILES: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@@H]([C@@]32COC(=O)C3)[C@@H]2O[C@@]2(C)C[C@H](C=C(C)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C36H58O10/c1-19(2)14-20(38)15-35(7)30(46-35)21-8-9-24-33(5)12-11-25(45-31-29(42)28(41)27(40)22(17-37)44-31)32(3,4)23(33)10-13-34(24,6)36(21)16-26(39)43-18-36/h14,20-25,27-31,37-38,40-42H,8-13,15-18H2,1-7H3/t20-,21+,22+,23-,24+,25-,27+,28-,29+,30-,31-,33-,34+,35-,36-/m0/s1
InChIKey: KPOSIVPPNIGLFV-UCQSOQHXSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6CC[C@@H][C@]6COC=O)C5)))))[C@@H]O[C@@]3C)C[C@H]C=CC)C)))O))))))))))C)))))C))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C1CC2(CO1)C(C1CO1)CCC1C3CCC(OC4CCCCO4)CC3CCC12
Scaffold Graph/Node level: OC1CC2(CO1)C(C1CO1)CCC1C3CCC(OC4CCCCO4)CC3CCC12
Scaffold Graph level: CC1CCC2(C1)C(C1CC1)CCC1C3CCC(CC4CCCCC4)CC3CCC12
Functional groups: CC(C)=CC; CO; COC(C)=O; CO[C@@H](C)OC; C[C@]1(C)O[C@H]1C

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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:
saponin h

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External chemical identifiers:
CID:101634402; ZINC:ZINC000255223346

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Chemical structure download