Name: Arctigenin 4'-O-β-gentiobioside
Rating: 5 (10 reviews)

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HIT ID:HIT212665275
Cas No:41682-24-0
常用名:Arctigenin 4'-O-β-gentiobioside
别名:牛蒡子苷元-4'-O-Β-龙胆二糖苷, Arctigenin 4'-O-beta-gentiobioside
别名:牛蒡子苷元-4'-O-Β-龙胆二糖苷, Arctigenin 4'-O-beta-gentiobioside
IUPAC:(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(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}phenyl)methyl]oxolan-2-one
IUPAC:(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(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}phenyl)methyl]oxolan-2-one
InChI key:FEQSYBHDHIPRKS-QWNZGVGBSA-N

分子式:C33H44O16
分子量:696.699
氢键供体数 (HBD):7
氢键受体数 (HBA):15
LogP:-0.60122716
SMILES:COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
SMILES:COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC

Arctigenin 4'-O-beta-gentiobioside is a natural product from Trachelospermum jasminoides.

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