O-Rutinosylumbelliferone
HIT212522911
sdf文件结构编辑类似物检索
HIT ID: HIT212522911
Cas No: 135064-04-9
分子式: C21H26O12
分子量: 470.427
常用名: O-Rutinosylumbelliferone
氢键受体数 (HBA): 11
氢键供体数 (HBD): 6
LogP: -1.512
IUPAC: 7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H-chromen-2-one
IUPAC: 7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H-chromen-2-one
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI key: YHDXKMHPOOQARK-NHYAYHNCSA-N
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