Theaflavin-3-gallate
HIT212659549
sdf文件结构编辑类似物检索
HIT ID: HIT212659549
Cas No: 30462-34-1
分子式: C36H28O16
分子量: 716.604
常用名: Theaflavin-3-gallate
氢键受体数 (HBA): 15
氢键供体数 (HBD): 11
LogP: 4.4128675
IUPAC: (2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
IUPAC: (2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
SMILES: O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2c1cc(cc(O)c2=O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
SMILES: O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2c1cc(cc(O)c2=O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
InChI key: KMJPKUVSXFVQGZ-WQLSNUALSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
7601-3天 购物车
Mcule
SC
11114-5周 购物车
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