Frangulin A
HIT212665468
sdf文件结构编辑类似物检索
HIT ID: HIT212665468
Cas No: 521-62-0
分子式: C21H20O9
分子量: 416.382
常用名: Frangulin A
氢键受体数 (HBA): 9
氢键供体数 (HBD): 5
LogP: 2.6002734
IUPAC: 1,8-dihydroxy-3-methyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
IUPAC: 1,8-dihydroxy-3-methyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O
InChI key: DTTVUKLWJFJOHO-FUCRAMRQSA-N
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