Name: Emodin-1-O-β-gentiobioside
Rating: 5 (10 reviews)

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HIT ID:HIT212665431
Cas No:849789-95-3
常用名:Emodin-1-O-β-gentiobioside
别名:大黄素-1-O-Β-龙胆二糖苷, Emodin-1-O-beta-gentiobioside
别名:大黄素-1-O-Β-龙胆二糖苷, Emodin-1-O-beta-gentiobioside
IUPAC:1,3-dihydroxy-6-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
IUPAC:1,3-dihydroxy-6-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
InChI key:JAMDNFDMFJNZFG-ONMHTNRHSA-N

分子式:C27H30O15
分子量:594.522
氢键供体数 (HBD):9
氢键受体数 (HBA):15
LogP:-0.86747223
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

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