75829-43-5 (乔松苷,Pinocembrin-7-O-β-D-glucopyranoside)

结构式:
CAS号:
75829-43-5
中文名称:
乔松苷
英文名称:
Pinocembrin-7-O-β-D-glucopyranoside
分子式:
C21H22O9
分子量:
418.3940
简介:
Pinocembrin-7-O-β-D-glucopyranoside (Pinocembrin 7-O-β-D-Glucoside) 是一种黄酮类化合物,可增强脂质过氧化。
植物源:

乔松苷(75829-43-5)名称与标识符

名称

中文别名:
乔松苷,乔松素葡萄糖苷,乔松素-7-O-β-D-葡萄糖苷;乔松苷;乔松素-7-O-β-D-葡萄糖苷;乔松素7-O-β-D葡萄糖苷,乔松苷;乔松素葡萄糖苷,乔松素-41-O-β-D-葡萄糖苷;乔松苷(分析标准品);(S)-5-羟基-2-苯基-7-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)苯并二氢吡喃-4-酮;
英文别名:
(2S)-pinocembrin 7-O-beta-D-glucoside;(2S)-pinocembrin-7-O-glucoside;(Xi)-7-beta-D-Glucopyranosyloxy-5-hydroxy-2-phenyl-chroman-4-on;(Xi)-7-beta-D-glucopyranosyloxy-5-hydroxy-2-phenyl-chroman-4-one;2(S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone;Chrysin-7-D-glucosid;pinocembrin 7-glucoside;pinocembrin 7-O-glucoside;pinocembroside;Pinocembrin 7-o-beta-d-glucoside;Pinocembroside,Pinocembrin41-O-beta-D-glucoside;BCP25314;5-Hydroxy-2-phenyl-7-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-;5-Hydroxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one;Pinocembrin-7-O-β-D-glucopyranoside;(2S)-5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one;(S)-5-Hydroxy-2-phenyl-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one;Pinocembrin-7-O-D-glucoside;A-D-glucopyranoside;CS-0034373;HY-N6616;Pinocembrin-7-O-??-D-glucopyranoside;MS-27307;Pinocembrin-7-O-;75829-43-5;Pinocembrin-7-O-beta-D-glucoside;Pinocembrin-7-O-beta-D-glucopyranoside;AKOS032946041;CHEMBL1083808;FT-0776437;5,7-Dihydroxyflavanone 7-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone;(2S)-5-hydroxy-2-phenyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one;

标识符

InChIKey:
GPGFGFUBECSNTG-UHFFFAOYSA-N
Inchi:
1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2
SMILES:
C12OC(C3C=CC=CC=3)CC(=O)C=1C(=CC(=C2)OC1C(O)C(O)C(O)C(CO)O1)O

乔松苷(75829-43-5)物化性质

计算特性

  • 精确分子量 : 418.12638228 g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 418.12638228 g/mol
  • 重原子数量 : 30
  • 复杂度 : 595
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 6
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 146
  • 分子量 : 418.4