Amygdalinic acid
HIT102105066
sdf文件结构编辑类似物检索
HIT ID: HIT102105066
Cas No: 66427-92-7
分子式: C20H28O13
分子量: 476.431
常用名: Amygdalinic acid
氢键受体数 (HBA): 13
氢键供体数 (HBD): 8
LogP: -2.646
IUPAC: 2-phenyl-2-{[(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}acetic acid
IUPAC: 2-phenyl-2-{[(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}acetic acid
SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C(O)=O)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C(O)=O)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: IHWHGPUDYPIVLL-BVXMNXTGSA-N
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