2',3,5,6',7-Pentahydroxyflavanone
HIT103461302
sdf文件结构编辑类似物检索
HIT ID: HIT103461302
Cas No: 82854-32-8;80366-15-0
分子式: C15H12O7
分子量: 304.254
常用名: 2',3,5,6',7-Pentahydroxyflavanone
常用名: 2',3,5,6',7-Pentahydroxyflavanone
氢键受体数 (HBA): 7
氢键供体数 (HBD): 5
LogP: 1.816
IUPAC: (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1c(O)cccc1O
SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1c(O)cccc1O
InChI key: NBQYBZYBTNQEQG-LSDHHAIUSA-N
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