Jaceoside
HIT106522005
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HIT ID: HIT106522005
Cas No: 25474-11-7
分子式: C23H24O12
分子量: 492.433
常用名: Jaceoside
氢键受体数 (HBA): 12
氢键供体数 (HBD): 6
LogP: 0.123
IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
InChI key: YFZSQPRYLBGYKE-FZFRBNDOSA-N
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