HIT ID: HIT212012844
Cas No: 714269-57-5
分子式: C22H27ClO7
分子量: 438.9
常用名: (2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
常用名: (2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 2.5643427
IUPAC: (2S,3R,4S,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@]2(OC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@]2(OC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChI key: GKTWLVVOULBRDU-BDHVOXNPSA-N
