112408-70-5 (5,7'-二羟基-8,2'-二甲氧基黄酮7-O-β-D-葡萄糖醛酸吡喃糖苷,5,7'-dihydroxy-8,2'-dimethoxyflavone 7-O-beta-D-glucuronopyranoside)

CAS号:
112408-70-5
中文名称:
5,7'-二羟基-8,2'-二甲氧基黄酮7-O-β-D-葡萄糖醛酸吡喃糖苷
英文名称:
5,7'-dihydroxy-8,2'-dimethoxyflavone 7-O-beta-D-glucuronopyranoside
分子式:
C23H22O12
分子量:
490.413588047028
植物源:

5,7'-二羟基-8,2'-二甲氧基黄酮7-O-β-D-葡萄糖醛酸吡喃糖苷(112408-70-5)名称与标识符

名称

英文别名:
5,7'-dihydroxy-8,2'-dimethoxyflavone 7-O-beta-D-glucuronopyranoside;5,7-dihydroxy-8,2'-dimethoxyflavone 7-O-beta-glucuronopyranoside;

标识符

InChIKey:
OQYSDFZSKXKZQF-UHFFFAOYSA-N
Inchi:
1S/C23H22O12/c1-31-12-6-4-3-5-9(12)13-7-10(24)15-11(25)8-14(19(32-2)20(15)33-13)34-23-18(28)16(26)17(27)21(35-23)22(29)30/h3-8,16-18,21,23,25-28H,1-2H3,(H,29,30)
SMILES:
COC1C(C2OC3C(=C(C=C(C=3OC)OC3C(O)C(O)C(O)C(C(=O)O)O3)O)C(=O)C=2)=CC=CC=1

5,7'-二羟基-8,2'-二甲氧基黄酮7-O-β-D-葡萄糖醛酸吡喃糖苷(112408-70-5)物化性质

计算特性

  • 氢键供体数量 : 5
  • 氢键受体数量 : 12
  • 重原子数量 : 35
  • 疏水参数计算参考值(XlogP) : 0.493