Nigracin
HIT101420085
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HIT ID: HIT101420085
Cas No: 18463-25-7
分子式: C20H22O9
分子量: 406.387
常用名: Nigracin
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 0.826
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
SMILES: OCc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
SMILES: OCc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
InChI key: FLROYCKIIJCTDY-BFMVXSJESA-N
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