Aceratioside
HIT212689251
sdf文件结构编辑类似物检索
HIT ID: HIT212689251
Cas No: 133084-09-0
分子式: C17H22O9
分子量: 370.354
常用名: Aceratioside
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.2269542
IUPAC: (2S)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
IUPAC: (2S)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc3C[C@H](CCc23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc3C[C@H](CCc23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: LZKGKUKUSQNWFR-DTGGDYGMSA-N
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