Name: Trisodium Glycyrrhizinate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219586411
Cas No:71277-78-6
常用名:Trisodium Glycyrrhizinate
别名:甘草酸三钠盐
IUPAC:sodium (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(sodiooxy)carbonyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(sodiooxy)carbonyl]oxan-2-yl]oxy}oxane-2-carboxylate
IUPAC:sodium (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(sodiooxy)carbonyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[(sodiooxy)carbonyl]oxan-2-yl]oxy}oxane-2-carboxylate
InChI key:CCXAYLQLOLXXKE-DWJAGBRCSA-K

分子式:C42H59Na3O16
分子量:888.887
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)O[Na])C(=O)O[Na])C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[Na]
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)O[Na])C(=O)O[Na])C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[Na]

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