Phenolphthalein β-D-glucuronide
HIT214481139
sdf文件结构编辑类似物检索
HIT ID: HIT214481139
Cas No: 15265-26-6
分子式: C26H22O10
分子量: 494.452
常用名: Phenolphthalein β-D-glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenoxy}oxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenoxy}oxane-2-carboxylic acid
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)C2(OC(=O)c3ccccc23)c2ccc(O)cc2)O[C@@H]([C@H]1O)C(O)=O
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)C2(OC(=O)c3ccccc23)c2ccc(O)cc2)O[C@@H]([C@H]1O)C(O)=O
InChI key: FXJYOZKDDSONLX-XADSOVDISA-N
共显示2个结果
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SC
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Apollo
BB
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