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HIT103536116
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HIT103536116
  • HIT ID:HIT103536116
  • Cas No:20300-50-9
  • Common Name:Odontoside
  • IUPAC:(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoate
    IUPAC:(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoate
  • InChIKey:MFOVLHFTNQGRLH-BFMVXSJESA-N
  • Molecular Formula:C20H22O11
  • Molecular Weight:438.385
  • Hydrogen Bond Donor (HBD):7
  • Hydrogen Bond Acceptor (HBA):10
  • LogP:0.219
  • SMILES:OC[C@H]1O[C@@H](Oc2ccc(COC(=O)c3ccc(O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
    SMILES:OC[C@H]1O[C@@H](Oc2ccc(COC(=O)c3ccc(O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
  • Odontoside is a natural product that can be used as a reference standard. The CAS number of Odontoside is 20300-50-9.
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