Name: Rhaponticin 6′′-O-gallate
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212665860
Cas No:94356-23-7
常用名:Rhaponticin 6′′-O-gallate
别名:土大黄苷 6''-O-没食子酸酯, Rhaponticin 6''-O-gallate
别名:土大黄苷 6''-O-没食子酸酯, Rhaponticin 6''-O-gallate
IUPAC:[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC:[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
InChI key:HEOKFDGOFROELJ-XJVIDBJFSA-N

分子式:C28H28O13
分子量:572.519
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:2.5612555
SMILES:COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O
SMILES:COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O

Rhaponticin 6''-O-gallate showed inhibitory activity of NO production in lipopolysaccharide-activated macrophages, (IC50 = 11-69 microM).

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