[8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
基本情報
- 標準SMILES
O=C(OC1Cc2c(O)cc(O)c(C3CC(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c43)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1- InChIKey
KCTCMHLOHIMJEX-UHFFFAOYSA-N- 分子式
- C37H30O16
- 平均分子量
- 730.6 g/mol
- 単同位体質量
- 730.15338488
概要
[8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate has been reported in Phyllanthus emblica with data available.
名称と識別子
- 優先名称
- [8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
- IUPAC
- [8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 288 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 16
- 回転可能結合数
- 6
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,240
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…