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HIT218887235
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HIT218887235
  • HIT ID:HIT218887235
  • Cas No:2484765-33-3
  • 常用名:Licorice-saponin H2 ammonium
  • 别名:(18β,20α)-Glycyrrhizic acid ammonium
  • IUPAC:diammonium (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxylato-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}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
    IUPAC:diammonium (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxylato-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}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
  • InChI key:SPPIIOPGDLITJE-ZEWURZLGSA-N
  • 分子式:C42H68N2O16
  • 分子量:857.004
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[NH4+].[NH4+].[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:[NH4+].[NH4+].[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
  • Licorice-saponin H2 ammonium (compound 7) 是从甘草根中提取的一种齐墩果烯三萜寡糖苷.
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