Lappaol A
HIT212665039
sdf文件结构编辑类似物检索
HIT ID: HIT212665039
Cas No: 62333-08-8
分子式: C30H32O9
分子量: 536.577
常用名: Lappaol A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 3.7704196
IUPAC: (3R,4R)-4-{[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
IUPAC: (3R,4R)-4-{[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
SMILES: COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1
SMILES: COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1
InChI key: PYLYQTVVQXPBIJ-OUZJQUPYSA-N
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