[3,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 2-[2,3-dihydroxy-5-[3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [3,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 2-[2,3-dihydroxy-5-[3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxybenzoate
• 英文别名: [3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 2-[2,3-dihydroxy-5-[3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₆₂O₅₂
• 分子量: 1879.3
• InChiKey: UARUIGWSNWRKDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  134
• 可旋转键数：
  34
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  877
• 氢给体数：
  29
• 氢受体数：
  52

文献信息

• GALLOTANNINS AND ELLIGITANNINS AS REGULATORS OF CYTOKINE RELEASE
  申请人：FELDMAN KENNETH S.

  公开号：US20080070850A1

  公开（公告）日：2008-03-20

  A means and method for increasing or inhibiting the secretion of cytokines using gallotannins and ellagitannins is described. The preferred cytokine release inhibiting compounds are dimeric gallotannins having a linker molecule that misaligns the carbohydrate cores of the compounds. The preferred cytokine release promoting gallotannins and ellagitannins include a diaryl ether linker unit. In comparison to the more structurally complex ellagitannins, the compounds of this invention are structurally simpler, easier to synthesize, and more potent.

  本发明描述了使用没食子酸单宁和榄皮酸单宁增加或抑制细胞因子分泌的方法和手段。优选的细胞因子释放抑制化合物是具有链接分子的二聚没食子酸单宁，该链接分子使化合物的碳水化合物核心错位。优选的细胞因子释放促进没食子酸单宁和榄皮酸单宁包括一个二芳基醚链接单元。与结构更为复杂的榄皮酸单宁相比，本发明的化合物结构更简单，更易于合成，且更具有活性。