Name: Haploside C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT102635105
Cas No:108279-04-5
常用名:Haploside C
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
InChI key:JGGRFKDDIGORCC-LHYXFQTCSA-N

分子式:C31H36O18
分子量:696.611
氢键供体数 (HBD):8
氢键受体数 (HBA):17
LogP:-0.406
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

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