Theaflavin 3,3′-digallate
HIT212658624
sdf文件结构编辑类似物检索
HIT ID: HIT212658624
Cas No: 30462-35-2
分子式: C43H32O20
分子量: 868.709
常用名: Theaflavin 3,3′-digallate
氢键受体数 (HBA): 18
氢键供体数 (HBD): 13
LogP: 5.9974713
IUPAC: (2R,3R)-2-{8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-1-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
IUPAC: (2R,3R)-2-{8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-1-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
SMILES: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(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: Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(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: ZEASWHWETFMWCV-ISBUVJFSSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
6861-3天 购物车
Mcule
SC
14484-5周 购物车
Mcule
SC
5934-5周 购物车
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