Cassiaside C
HIT212665330
sdf文件结构编辑类似物检索
HIT ID: HIT212665330
Cas No: 119170-52-4
分子式: C27H32O15
分子量: 596.538
常用名: Cassiaside C
氢键受体数 (HBA): 14
氢键供体数 (HBD): 8
LogP: -0.90876585
IUPAC: 10-hydroxy-7-methoxy-3-methyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-one
IUPAC: 10-hydroxy-7-methoxy-3-methyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-one
SMILES: COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc(C)oc3=O)cc2c1
SMILES: COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(cc(C)oc3=O)cc2c1
InChI key: GBGJNKYTLIUCMX-YUMVGKRXSA-N
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