5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one|5-hydroxy-2-(3-hydro...

基本信息

化学结构

分子式

C₂₈H₃₂O₁₅

分子量

608.54468

精确质量

608.17412032

电荷

InChI

InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1

InChIKey

GZSOSUNBTXMUFQ-CFTHMCTFSA-N

Canonic Smiles

COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O

Isomeric Smiles

c12c(=O)cc(oc1cc(O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O)O)O)cc2O)c1cc(c(cc1)OC)O

计算属性

JChem

Acid pKa

8.475596

质子受体

质子供体

LogD (pH = 5.5)

-0.4434314

LogD (pH = 7.4)

-0.47794226

Log P

-0.4429759

摩尔折射率

142.3911

极化性

56.485394

极化表面积

234.29

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

IUPAC传统名

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one

别名

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chrome n-4-one

名称和标识

数据登录号

PubChem CID

7163184

PubChem SID

162108079

数据登录号

化合物性质

产品相关信息

分类

Genuine Natural Compounds

化合物性质