HIT ID: HIT100118718

Cas No: 64703-88-4

分子式: C27H44O16

分子量: 624.633

常用名: Kanokoside D

氢键受体数 (HBA): 15

氢键供体数 (HBD): 9

LogP: -3.982

IUPAC: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate

SMILES: CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12 |t:9|

InChI key: AKTRFOPOAKDICT-GHHIWPQQSA-N