HIT ID: HIT100621230

Cas No: 139726-39-9

分子式: C19H26O13

分子量: 462.404

常用名: Sibiricose A3

氢键受体数 (HBA): 12

氢键供体数 (HBD): 8

LogP: -2.337

IUPAC: [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(=O)c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

InChI key: CDTIMEVVBBGLIF-OVUASUNJSA-N