44-(1,2-Dihydroxyethyl)-11,12,13,16,17,18,32,33,37,38,41,43,44-tridecahydroxy-3,8,21,29-tetraoxo-26-(3,4,5-trihydroxybenzoyl)oxy-4,7,22,25,28,39,42,45-octaoxaundecacyclo[39.2.1.134,37.02,36.02,40.05,24.06,27.09,14.015,20.030,35.038,43]pentatetraconta-9,11,13,15,17,19,30,32,34-nonaene-40-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 44-(1,2-Dihydroxyethyl)-11,12,13,16,17,18,32,33,37,38,41,43,44-tridecahydroxy-3,8,21,29-tetraoxo-26-(3,4,5-trihydroxybenzoyl)oxy-4,7,22,25,28,39,42,45-octaoxaundecacyclo[39.2.1.134,37.02,36.02,40.05,24.06,27.09,14.015,20.030,35.038,43]pentatetraconta-9,11,13,15,17,19,30,32,34-nonaene-40-carboxylic acid
• 英文别名: 44-(1,2-dihydroxyethyl)-11,12,13,16,17,18,32,33,37,38,41,43,44-tridecahydroxy-3,8,21,29-tetraoxo-26-(3,4,5-trihydroxybenzoyl)oxy-4,7,22,25,28,39,42,45-octaoxaundecacyclo[39.2.1.134,37.02,36.02,40.05,24.06,27.09,14.015,20.030,35.038,43]pentatetraconta-9,11,13,15,17,19,30,32,34-nonaene-40-carboxylic acid
• 化学式: C₄₇H₃₆O₃₄
• 分子量: 1144.8
• InChiKey: JPLYTKKFFYXKAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  81
• 可旋转键数：
  6
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  570
• 氢给体数：
  19
• 氢受体数：
  34