Xylosmacin
HIT212718771
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HIT ID: HIT212718771
Cas No: 64766-24-1
分子式: C20H22O9
分子量: 406.387
常用名: Xylosmacin
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 0.8259972
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-3-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-3-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
SMILES: OCc1cc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
SMILES: OCc1cc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChI key: GUQJOXTVQLISQW-BFMVXSJESA-N
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