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HIT218848113
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HIT218848113
  • HIT ID:HIT218848113
  • Cas No:777080-67-8
  • 常用名:Gossypetin 3'-O-glucoside
  • IUPAC:3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
    IUPAC:3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
  • InChI key:CFWBDIIKUDFYDS-NWTBKRSKSA-N
  • 分子式:C21H20O13
  • 分子量:480.378
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
    SMILES:OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
  • Gossypetin 3′-O-glucoside, a gossypetin derivative, can be isolated from ethanolic extracts following Soxhlet extraction [1].
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    TargetMolSC
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    1

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