Name: Vitexin 4'-glucoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212652375
Cas No:38950-94-6
常用名:Vitexin 4'-glucoside
别名:牡荆素葡萄糖苷, Vitexia-glucoside, 4'-O-Glucosylvitexin
别名:牡荆素葡萄糖苷, Vitexia-glucoside, 4'-O-Glucosylvitexin
IUPAC:5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
IUPAC:5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
InChI key:CQJPSSJEHVNDFL-WIQAIWCDSA-N

分子式:C27H30O15
分子量:594.522
氢键供体数 (HBD):10
氢键受体数 (HBA):15
LogP:-2.3186998
SMILES:OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2cc(=O)c3c(O)cc(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2cc(=O)c3c(O)cc(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)[C@H](O)[C@@H](O)[C@@H]1O

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