HIT ID: HIT101420216

Cas No: 560-53-2

分子式: C36H54O14

分子量: 710.814

常用名: K-Strophanthin-?

氢键受体数 (HBA): 13

氢键供体数 (HBD): 6

LogP: -0.083

IUPAC: (1R,3aS,3bR,5aS,7S,9aS,11aR)-3a,5a-dihydroxy-7-[(4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

SMILES: COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)OC(C)C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:32|

InChI key: FHIREUBIEIPPMC-RVFDZQFKSA-N