HIT ID: HIT218697818

Cas No: 50986-17-9

分子式: C21H21O12

分子量: 465.386

常用名: 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium, Delphinidin 3-O-glucoside, 飞燕草素-3-O-β-D-葡萄糖苷

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

InChI key: XENHPQQLDPAYIJ-PEVLUNPASA-O