4'-O-Glucopyranosylsinapic acid
HIT212523816
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HIT ID: HIT212523816
Cas No: 117405-52-4
分子式: C17H22O10
分子量: 386.353
常用名: 4'-O-Glucopyranosylsinapic acid
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: -0.751
IUPAC: (2E)-3-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
IUPAC: (2E)-3-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
SMILES: COc1cc(\C=C\C(O)=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: COc1cc(\C=C\C(O)=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: KKLWTTVTWMTNBP-KYXYLJOWSA-N
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