Fluorescein Di-β-D-Glucuronide
HIT218850724
sdf文件结构编辑类似物检索
HIT ID: HIT218850724
Cas No: 134869-04-8
分子式: C32H28O17
分子量: 684.559
常用名: Fluorescein Di-β-D-Glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5R,6S)-6-(3'-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-6-(3'-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(Oc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc4C33OC(=O)c4ccccc34)c2)O[C@@H]([C@H]1O)C(O)=O
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc3c(Oc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc4C33OC(=O)c4ccccc34)c2)O[C@@H]([C@H]1O)C(O)=O
InChI key: KKGCDGCDUBCTBY-MJMXWKEJSA-N
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