4β-(S-L-cysteinyl)-(-)-epicatechin-(4β->8)-(-)-epicatechin gallate | 929606-17-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 4β-(S-L-cysteinyl)-(-)-epicatechin-(4β->8)-(-)-epicatechin gallate
• CAS: 929606-17-7
• 化学式: C₄₀H₃₅NO₁₈S
• 分子量: 849.78
• InChiKey: XVDUQRRWQWRWHN-PEMWURFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  60.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  350.84
• 氢给体数：
  14.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  4β-(S-L-cysteinyl)-(-)-epicatechin-(4β->8)-(-)-epicatechin gallate 在 tannase from Aspergillus oryzae 、 水 作用下， 反应 3.0h， 以3 mg的产率得到没食子酸
  参考文献：
  名称：

  Preparation, Characterization, and Antioxidative Effects of Oligomeric Proanthocyanidin−l-Cysteine Complexes

  摘要：

  Controlled acid-catalyzed degradation of proanthocyanidin polymers in grape seeds together with l-cysteine led to oligomeric proanthocyanidin-l-cysteine complexes along with monomeric flavan-3-ol derivatives being isolated, and their structures were confirmed on the basis of spectroscopic data and by chemical means. In addition, comparative studies on the antioxidative and survival effects of oligomeric proanthocyanidin-l-cysteine complexes and proanthocyanidin polymers were performed. The oligomeric proanthocyanidin-l-cysteine complexes showed higher bioavailability and antioxidant capacity and enhanced survival time in the animal test groups. In addition, it is suggested that the oligomeric complexes may help to prevent oxidative stress and may reduce free radical production.

  DOI：

  10.1021/jf062819n