[1,2,2,14,15,16,19,23,24,25,38,39,40,43,44,45,57,58,59,76,77-Henicosahydroxy-3,6,11,28,35,48,54,65,73-nonaoxo-70-(3,4,5-trihydroxybenzoyl)oxy-7,10,21,29,31,34,49,53,61,66,69,72,81-tridecaoxapentadecacyclo[76.2.1.05,80.08,68.09,71.012,17.018,64.020,62.022,27.030,52.032,50.036,41.042,47.055,60.074,79]henoctaconta-4,12,14,16,18,20(62),22,24,26,36,38,40,42,44,46,55,57,59,63,74,76,78-docosaen-51-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: [1,2,2,14,15,16,19,23,24,25,38,39,40,43,44,45,57,58,59,76,77-Henicosahydroxy-3,6,11,28,35,48,54,65,73-nonaoxo-70-(3,4,5-trihydroxybenzoyl)oxy-7,10,21,29,31,34,49,53,61,66,69,72,81-tridecaoxapentadecacyclo[76.2.1.05,80.08,68.09,71.012,17.018,64.020,62.022,27.030,52.032,50.036,41.042,47.055,60.074,79]henoctaconta-4,12,14,16,18,20(62),22,24,26,36,38,40,42,44,46,55,57,59,63,74,76,78-docosaen-51-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [1,2,2,14,15,16,19,23,24,25,38,39,40,43,44,45,57,58,59,76,77-henicosahydroxy-3,6,11,28,35,48,54,65,73-nonaoxo-70-(3,4,5-trihydroxybenzoyl)oxy-7,10,21,29,31,34,49,53,61,66,69,72,81-tridecaoxapentadecacyclo[76.2.1.05,80.08,68.09,71.012,17.018,64.020,62.022,27.030,52.032,50.036,41.042,47.055,60.074,79]henoctaconta-4,12,14,16,18,20(62),22,24,26,36,38,40,42,44,46,55,57,59,63,74,76,78-docosaen-51-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₄O₅₃
• 分子量: 1887.3
• InChiKey: DRIMSOMQGVGWQB-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