HIT ID: HIT100993247

Cas No: 663-95-6

分子式: C30H46O9

分子量: 550.689

常用名: Acovenoside A

氢键受体数 (HBA): 8

氢键供体数 (HBD): 4

LogP: 1.683

IUPAC: 4-[(1R,3aS,3bR,5aR,7R,9R,9aS,11aR)-7-{[(2S,3S,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a,9-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one

SMILES: CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4C3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O |t:33|

InChI key: DKYDBQQIQAPGMH-VEPJOZAASA-N