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HIT218848785
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HIT218848785
  • HIT ID:HIT218848785
  • Cas No:1012886-99-5
  • 常用名:Pseudoginsenoside Rg3
  • IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-1-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
    IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-1-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
  • InChI key:SYVULVCIDUGXBU-HAUWQUGRSA-N
  • 分子式:C42H72O13
  • 分子量:785.025
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(\C)=C\CCC(C)(C)O
    SMILES:[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(\C)=C\CCC(C)(C)O
  • Pseudoginsenoside Rg3 (compound 8) 为由Acremonium strictum AS 3.2058发酵人参皂苷Rb1所得产物。
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  • 供应商
    TargetMolSC
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