基本情報
- 標準SMILES
CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O- InChIKey
YMWRMAOPKNYHMZ-UHFFFAOYSA-N- 分子式
- C35H46O19
- 平均分子量
- 770.7 g/mol
- 単同位体質量
- 770.26332925
概要
CID 179744 has been reported in Barleria and Callicarpa macrophylla with data available.
名称と識別子
- 優先名称
- [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
- IUPAC
- [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
名称と別名
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoates1074
物性
構造計算による物性
- XLogP
- -1.6
- 極性表面積
- 304 Ų
- 水素結合供与体数
- 11
- 水素結合受容体数
- 19
- 回転可能結合数
- 13
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,210
関連反応
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