[3,9,10,11,28,29,33,33,34,46,47,48,51,55,56,57,63,64,67,68,69-Henicosahydroxy-6,17,25,35,38,43,60,72,77-nonaoxo-22-(3,4,5-trihydroxybenzoyl)oxy-2,5,13,18,21,24,39,42,53,61,73,76,81-tridecaoxapentadecacyclo[60.12.5.14,74.130,34.07,12.014,52.016,50.020,40.023,41.026,31.032,37.044,49.054,59.065,78.066,71]henoctaconta-7,9,11,14(52),15,26,28,30,36,44,46,48,50,54,56,58,62,64,66,68,70,78-docosaen-80-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: [3,9,10,11,28,29,33,33,34,46,47,48,51,55,56,57,63,64,67,68,69-Henicosahydroxy-6,17,25,35,38,43,60,72,77-nonaoxo-22-(3,4,5-trihydroxybenzoyl)oxy-2,5,13,18,21,24,39,42,53,61,73,76,81-tridecaoxapentadecacyclo[60.12.5.14,74.130,34.07,12.014,52.016,50.020,40.023,41.026,31.032,37.044,49.054,59.065,78.066,71]henoctaconta-7,9,11,14(52),15,26,28,30,36,44,46,48,50,54,56,58,62,64,66,68,70,78-docosaen-80-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [3,9,10,11,28,29,33,33,34,46,47,48,51,55,56,57,63,64,67,68,69-henicosahydroxy-6,17,25,35,38,43,60,72,77-nonaoxo-22-(3,4,5-trihydroxybenzoyl)oxy-2,5,13,18,21,24,39,42,53,61,73,76,81-tridecaoxapentadecacyclo[60.12.5.14,74.130,34.07,12.014,52.016,50.020,40.023,41.026,31.032,37.044,49.054,59.065,78.066,71]henoctaconta-7,9,11,14(52),15,26,28,30,36,44,46,48,50,54,56,58,62,64,66,68,70,78-docosaen-80-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₄O₅₃
• 分子量: 1887.3
• InChiKey: CCKGUSHNKNYGRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  135
• 可旋转键数：
  6
• 环数：
  18.0
• 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