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  3. HIT214314521
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HIT214314521
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HIT214314521
  • HIT ID:HIT214314521
  • Cas No:126223-28-7
  • 常用名:Ginsenoside Rg4
  • IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2Z)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
    IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2Z)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
  • InChI key:QOMBXPYXWGTFNR-KRPFXEAISA-N
  • 分子式:C42H70O12
  • 分子量:767.01
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12[#6@H](-[#6]-[#6][C@@]1([#6])[C@]1([#6])[#6]-[#6@H](-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8]-[#6@@H]-3-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])[C@@]3([H])C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]3([#6])[C@@]1([H])[#6]-[#6@H]2-[#8])-[#6](\[#6])=[#6]/[#6]\[#6]=[#6](\[#6])-[#6]
    SMILES:[H][C@@]12[#6@H](-[#6]-[#6][C@@]1([#6])[C@]1([#6])[#6]-[#6@H](-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8]-[#6@@H]-3-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])[C@@]3([H])C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]3([#6])[C@@]1([H])[#6]-[#6@H]2-[#8])-[#6](\[#6])=[#6]/[#6]\[#6]=[#6](\[#6])-[#6]
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