Cinchonain IIb
HIT213885764
sdf文件结构编辑类似物检索
HIT ID: HIT213885764
Cas No: 85022-68-0
分子式: C39H32O15
分子量: 740.67
常用名: Cinchonain IIb
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R,5R,6S,14S)-4,14-bis(3,4-dihydroxyphenyl)-6-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-12-one
IUPAC: (4R,5R,6S,14S)-4,14-bis(3,4-dihydroxyphenyl)-6-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-12-one
SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc3OC(=O)C[C@@H](c5ccc(O)c(O)c5)c43)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc3OC(=O)C[C@@H](c5ccc(O)c(O)c5)c43)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
InChI key: NWZBNZUABGSPSN-FUOMFPIFSA-N
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