[1,2,2,14,15,16,19,23,24,25,40,41,42,59,60-Pentadecahydroxy-3,6,11,28,37,48,56-heptaoxo-33,34,53-tris[(3,4,5-trihydroxybenzoyl)oxy]-7,10,21,29,31,36,44,49,52,55,64-undecaoxadodecacyclo[59.2.1.05,63.08,51.09,54.012,17.018,47.020,45.022,27.030,35.038,43.057,62]tetrahexaconta-4,12,14,16,18,20(45),22,24,26,38,40,42,46,57,59,61-hexadecaen-32-yl]methyl 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: [1,2,2,14,15,16,19,23,24,25,40,41,42,59,60-Pentadecahydroxy-3,6,11,28,37,48,56-heptaoxo-33,34,53-tris[(3,4,5-trihydroxybenzoyl)oxy]-7,10,21,29,31,36,44,49,52,55,64-undecaoxadodecacyclo[59.2.1.05,63.08,51.09,54.012,17.018,47.020,45.022,27.030,35.038,43.057,62]tetrahexaconta-4,12,14,16,18,20(45),22,24,26,38,40,42,46,57,59,61-hexadecaen-32-yl]methyl 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₃
• 分子量: 1889.3
• InChiKey: IHHAZOKDRVHKDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  135
• 可旋转键数：
  13
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  872
• 氢给体数：
  27
• 氢受体数：
  53