Haploside C
HIT102635105
sdf文件结构编辑类似物检索
HIT ID: HIT102635105
Cas No: 108279-04-5
分子式: C31H36O18
分子量: 696.611
常用名: Haploside C
氢键受体数 (HBA): 17
氢键供体数 (HBD): 8
LogP: -0.406
IUPAC: [(2R,3S,4S,5R,6S)-6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
IUPAC: [(2R,3S,4S,5R,6S)-6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
SMILES: COc1cc(ccc1O)-c1oc2c(OC)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c2c(=O)c1O
SMILES: COc1cc(ccc1O)-c1oc2c(OC)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c2c(=O)c1O
InChI key: JGGRFKDDIGORCC-LHYXFQTCSA-N
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