Name: Isoquercitrin-7-O-gentiobioside
Rating: 5 (10 reviews)

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HIT ID:HIT212658644
Cas No:60778-02-1
常用名:Isoquercitrin-7-O-gentiobioside
别名:槲皮素-3-O-Β-D-葡萄糖-7-O-Β-D-龙胆双糖苷, Quercetin-3-O-β-D-glucose-7-O-β-D-gentiobiosiden, Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside
别名:槲皮素-3-O-Β-D-葡萄糖-7-O-Β-D-龙胆双糖苷, Quercetin-3-O-β-D-glucose-7-O-β-D-gentiobiosiden, Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside
IUPAC:2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(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}-4H-chromen-4-one
IUPAC:2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(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}-4H-chromen-4-one
InChI key:VUTMUSRYWYUQIK-GZIDCZEMSA-N

分子式:C33H40O22
分子量:788.661
氢键供体数 (HBD):14
氢键受体数 (HBA):22
LogP:-4.183739
SMILES:OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4=O)[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](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Quercetin-3-O-β-D-glucose-7-O-β-D-gentiobiosiden (Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside) 是一种黄酮，来源于 Quercetin 中。

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