HIT ID: HIT100413422

Cas No: 72021-23-9

分子式: C26H32O15

分子量: 584.527

常用名: Henryoside

氢键受体数 (HBA): 14

氢键供体数 (HBD): 9

LogP: -1.096

IUPAC: (2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

SMILES: OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c2c(O)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI key: BHHRYVYZZQIPGU-NXEOTYAVSA-N