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
HIT218697818
sdf文件结构编辑类似物检索
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
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