| 1350431-83-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• CAS: 1350431-83-2
• 化学式: C₃₅H₃₂O₁₃
• 分子量: 660.631
• InChiKey: NSVOAWRWVBXUCJ-RPCURVJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  48.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  190.67
• 氢给体数：
  5.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 palladium on carbon 、 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 11-O-没食子酰岩白菜素
  参考文献：
  名称：

  Synthesis and antiglycation potentials of bergenin derivatives

  摘要：

  Bergenin (1), major bioactive compound isolated from methanolic extract of Mallotus philippinensis, displayed moderate AGE inhibition activity (IC50 = 186.73 mu M). A series of derivatives of bergenin (3a-k) containing variety of aromatic acids were synthesized under mild conditions by modification of sugar part. Selective esterification of hydroxyl groups on the sugar part enhanced antiglycation potential of bergenin. Compounds 3j and 3k exhibited potent antiglycation activity with the IC50 values of 60.75 and 12.28 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.131
• 作为产物：
  描述：

  溴甲苯 在 吡啶 、 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antiglycation potentials of bergenin derivatives

  摘要：

  Bergenin (1), major bioactive compound isolated from methanolic extract of Mallotus philippinensis, displayed moderate AGE inhibition activity (IC50 = 186.73 mu M). A series of derivatives of bergenin (3a-k) containing variety of aromatic acids were synthesized under mild conditions by modification of sugar part. Selective esterification of hydroxyl groups on the sugar part enhanced antiglycation potential of bergenin. Compounds 3j and 3k exhibited potent antiglycation activity with the IC50 values of 60.75 and 12.28 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.131