| 1391062-82-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 1391062-82-0
• 化学式: C₃₆H₃₀O₁₄
• 分子量: 686.626
• InChiKey: OWNVSRZPCVRQQV-LSSKPTOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  50.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  261.22
• 氢给体数：
  12.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  间苯三酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 乙醇 作用下， 生成 (2R,3R,4S)-4-(2,4,6-trihydroxyphenyl)flavan-3,3',4',5,7-pentaol 、 catechin-(4α->2)-phloroglucinol 、 、 、 epicatechin-3-O-gallat-(4β-2)-phloroglucinol
  参考文献：
  名称：

  Polyphenolic Constituents of Cynomorium songaricum Rupr. and Antibacterial Effect of Polymeric Proanthocyanidin on Methicillin-Resistant Staphylococcus aureus

  摘要：

  Oligomeric and polymeric flavan-3-ols were obtained by chromatographic fractionation of extracts from Cynomorium songaricum Rupr. The structure of the polymeric constituent, cynomoriitannin, was characterized using spectral and chemical data Results from acid-catalyzed degradation indicated that cynomoriitannin is a polymeric proanthocyanidin predominantly composed of epicatechin, together with low proportions of epicatechin-3-O-gallate and catechin as extension units. The terminal unit was chiefly composed of catechin, with an admixture of epicatechin. Size exclusion chromatographic analysis demonstrated a mean polymerization degree of 14. Two new phloroglucinol adducts (cynomoriitannin-phloroglucinol adducts A and B) obtained by acid-catalyzed degradation of cynomoriitannin in the presence of phloroglucinol were characterized using spectral analyses. Six oligomeric flavan-3-ols were also identified as follows: procyanidin B3, catechin-(6'-8)-catechin, catechin-(6'-6)-catechin, epicatechin-(4 beta-8)- epicatechin-(4 beta-8)-catechin, epicatechin-(4 beta-6)-epicatechin-(4 beta-8)-catechin, and arecatannin Al, respectively. These flavan-3-ols were isolated from C songaricum. This is the first time that this procedure has been described. The antibacterial activity of the fractions and constituents was tested against methicillin-resistant Staphylococcus aureus (MRSA). The crude acetone-water (7:3) extract had moderate activity against MRSA. Cynomoriitannin was the most effective of the plant constituents against MRSA.

  DOI：

  10.1021/jf301621e