Name: 1,3,6-Tri-O-galloyl-beta-D-glucose
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT105553507
Cas No:18483-17-5
常用名:1,3,6-Tri-O-galloyl-beta-D-glucose
常用名:1,3,6-Tri-O-galloyl-beta-D-glucose
别名:1,3,6-三没食子酰葡萄糖, 1,3,6-三-O-3,4,5-三羟基苯甲酰-BETA-D-葡萄糖, 1,3,6-Tri-O-galloyl-β-D-glucose, 1,3,6-Tri-O-galloylglucose
别名:1,3,6-三没食子酰葡萄糖, 1,3,6-三-O-3,4,5-三羟基苯甲酰-BETA-D-葡萄糖, 1,3,6-Tri-O-galloyl-β-D-glucose, 1,3,6-Tri-O-galloylglucose
IUPAC:(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate
IUPAC:(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate
InChI key:RNKMOGIPOMVCHO-SJMVAQJGSA-N

分子式:C27H24O18
分子量:636.471
氢键供体数 (HBD):11
氢键受体数 (HBA):15
LogP:1.821
SMILES:O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
SMILES:O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

1,3,6-Tri-O-galloyl-beta-D-glucose (1,3,6-Tri-O-galloylglucose) 是一种酚类化合物，分离自Black Walnut Kernels 中。

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