4-Chloro-3-methoxy-5-methylphenyl 6-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside
HIT217584322
sdf文件结构编辑类似物检索
HIT ID: HIT217584322
Cas No: 2839363-15-2
分子式: C20H29ClO11
分子量: 480.89
常用名: 4-Chloro-3-methoxy-5-methylphenyl 6-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside
常用名: 4-Chloro-3-methoxy-5-methylphenyl 6-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-2-(4-chloro-3-methoxy-5-methylphenoxy)-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-(4-chloro-3-methoxy-5-methylphenoxy)-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
SMILES: COc1cc(O[C@@H]2O[C@H](CO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(C)c1Cl
SMILES: COc1cc(O[C@@H]2O[C@H](CO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(C)c1Cl
InChI key: FHWLQSKOHIOSCH-DTOQXPHCSA-N
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