Vitexin 7-glucoside
HIT214313338
sdf文件结构编辑类似物检索
HIT ID: HIT214313338
Cas No: 35109-95-6
分子式: C27H30O15
分子量: 594.522
常用名: Vitexin 7-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3c(oc(cc3=O)-c3ccc(O)cc3)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3c(oc(cc3=O)-c3ccc(O)cc3)c2[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: HHRPSKAYQPDDGQ-WIQAIWCDSA-N
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