[1,13,14,15,18,22,23,24,37,38,39,42,43,44,56,57,58,75,76,80,80-Henicosahydroxy-2,5,10,27,34,47,53,64,72-nonaoxo-69-(3,4,5-trihydroxybenzoyl)oxy-6,9,20,28,30,33,48,52,60,65,68,71,81-tridecaoxapentadecacyclo[75.3.1.04,79.07,67.08,70.011,16.017,63.019,61.021,26.029,51.031,49.035,40.041,46.054,59.073,78]henoctaconta-3,11,13,15,17,19(61),21,23,25,35,37,39,41,43,45,54,56,58,62,73,75,77-docosaen-50-yl] 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: [1,13,14,15,18,22,23,24,37,38,39,42,43,44,56,57,58,75,76,80,80-Henicosahydroxy-2,5,10,27,34,47,53,64,72-nonaoxo-69-(3,4,5-trihydroxybenzoyl)oxy-6,9,20,28,30,33,48,52,60,65,68,71,81-tridecaoxapentadecacyclo[75.3.1.04,79.07,67.08,70.011,16.017,63.019,61.021,26.029,51.031,49.035,40.041,46.054,59.073,78]henoctaconta-3,11,13,15,17,19(61),21,23,25,35,37,39,41,43,45,54,56,58,62,73,75,77-docosaen-50-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₄O₅₃
• 分子量: 1887.3
• InChiKey: ZIHGZOOHAWGQET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  135
• 可旋转键数：
  6
• 环数：
  17.0
• 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