4-O-Demethylmanassantin B
HIT212525636
sdf文件结构编辑类似物检索
HIT ID: HIT212525636
Cas No: 695151-38-3
分子式: C40H46O11
分子量: 702.797
常用名: 4-O-Demethylmanassantin B
氢键受体数 (HBA): 11
氢键供体数 (HBD): 3
LogP: 6.382
IUPAC: 4-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(2H-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol
IUPAC: 4-[(1R,2R)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(2H-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc3OCOc3c2)c(OC)c1
SMILES: COc1cc(ccc1O)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc3OCOc3c2)c(OC)c1
InChI key: WQSGIPAMJXWYGZ-NPIUFYBCSA-N
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