Apiopaeonoside
HIT212658629
sdf文件结构编辑类似物检索
HIT ID: HIT212658629
Cas No: 100291-86-9
分子式: C20H28O12
分子量: 460.432
常用名: Apiopaeonoside
氢键受体数 (HBA): 12
氢键供体数 (HBD): 6
LogP: -2.4749105
IUPAC: 1-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-methoxyphenyl)ethan-1-one
IUPAC: 1-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-methoxyphenyl)ethan-1-one
SMILES: COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
SMILES: COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
InChI key: IRLNKOAURQPXIQ-LTRJMQNCSA-N
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