Name: Glycyrrhizin-6′,6′′-dimethylester
Rating: 5 (10 reviews)

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HIT ID:HIT217584081
Cas No:114006-81-4
常用名:Glycyrrhizin-6′,6′′-dimethylester
常用名:Glycyrrhizin-6′,6′′-dimethylester
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(methoxycarbonyl)-3-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(methoxycarbonyl)-3-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
InChI key:VIBICZSYZZPALI-WGRDPETLSA-N

分子式:C44H66O16
分子量:850.996
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)OC)C(=O)OC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)OC)C(=O)OC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Glycyrrhizin-6′,6′′-dimethylester (compound 23) 是一种从甘草根中提取的甘草皂苷，具有作为糖苷配基的能力，参与葡萄糖醛酸甲酯的生成，其结果是产生具有相似阈值的甜味、甘草味和苦味。

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