Name: Magnesium isoglycyrrhizinate hydrate
Rating: 5 (10 reviews)

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HIT ID:HIT218849729
Cas No:658701-67-8
常用名:Magnesium isoglycyrrhizinate hydrate
常用名:Magnesium isoglycyrrhizinate hydrate
别名:异甘草酸镁水合物, Tianqingganmei, 18α-Glycyrrhizic acid Magnesium hydrate
别名:异甘草酸镁水合物, Tianqingganmei, 18α-Glycyrrhizic acid Magnesium hydrate
IUPAC:magnesium(2+) (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate tetrahydrate
IUPAC:magnesium(2+) (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate tetrahydrate
InChI key:NZIKWFVGLMNGAH-PUBQWMFISA-L

分子式:C42H68MgO20
分子量:917.291
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O.O.O.O.[Mg++].[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-])=O)C([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
SMILES:O.O.O.O.[Mg++].[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-])=O)C([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Magnesium isoglycyrrhizinate hydrate (18α-Glycyrrhizic acid Magnesium hydrate) 是一种可从甘草中提取的活性成分，具有抗炎活性，可降低丙氨酸和天冬氨酸氨基转移酶活性，可用于研究 HIV-1 感染。

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