Name: 4"-O-Glucosylvitexin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212657919
Cas No:76135-82-5
常用名:4"-O-Glucosylvitexin
别名:牡荆素葡萄糖苷, glucosylvitexin
IUPAC:8-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
IUPAC:8-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI key:NDSUKTASTPEKBX-YGBVHABKSA-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:-1.8214674
SMILES:OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC([C@H](O)[C@H]2O)c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC([C@H](O)[C@H]2O)c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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