HIT ID: HIT212523377
Cas No: 63590-19-2
分子式: C28H26N2O10
分子量: 550.52
常用名: Balanol
氢键受体数 (HBA): 10
氢键供体数 (HBD): 7
LogP: 2.386
IUPAC: 2-[2,6-dihydroxy-4-({[(3R,4R)-3-(4-hydroxybenzamido)azepan-4-yl]oxy}carbonyl)benzoyl]-3-hydroxybenzoic acid
IUPAC: 2-[2,6-dihydroxy-4-({[(3R,4R)-3-(4-hydroxybenzamido)azepan-4-yl]oxy}carbonyl)benzoyl]-3-hydroxybenzoic acid
SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
InChI key: XYUFCXJZFZPEJD-XMSQKQJNSA-N