[4,5,6,17,18,19,22,23,24,37,41,42,43,55,56,57,60,61,62,75,76,78-Docosahydroxy-8,14,27,34,46,52,65,72-octaoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,9,13,28,31,33,39,47,51,66,69,71-dodecaoxatridecacyclo[71.2.2.235,38.13,7.010,32.012,30.015,20.021,26.040,45.048,70.050,68.053,58.059,64]octaconta-1(75),3,5,7(80),15,17,19,21,23,25,35,37,40,42,44,53,55,57,59,61,63,73,76,78-tetracosaen-49-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: [4,5,6,17,18,19,22,23,24,37,41,42,43,55,56,57,60,61,62,75,76,78-Docosahydroxy-8,14,27,34,46,52,65,72-octaoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,9,13,28,31,33,39,47,51,66,69,71-dodecaoxatridecacyclo[71.2.2.235,38.13,7.010,32.012,30.015,20.021,26.040,45.048,70.050,68.053,58.059,64]octaconta-1(75),3,5,7(80),15,17,19,21,23,25,35,37,40,42,44,53,55,57,59,61,63,73,76,78-tetracosaen-49-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,17,18,19,22,23,24,37,41,42,43,55,56,57,60,61,62,75,76,78-docosahydroxy-8,14,27,34,46,52,65,72-octaoxo-11-(3,4,5-trihydroxybenzoyl)oxy-2,9,13,28,31,33,39,47,51,66,69,71-dodecaoxatridecacyclo[71.2.2.235,38.13,7.010,32.012,30.015,20.021,26.040,45.048,70.050,68.053,58.059,64]octaconta-1(75),3,5,7(80),15,17,19,21,23,25,35,37,40,42,44,53,55,57,59,61,63,73,76,78-tetracosaen-49-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₂
• 分子量: 1873.3
• InChiKey: NPWDDASRZGKKQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  134
• 可旋转键数：
  6
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  866
• 氢给体数：
  28
• 氢受体数：
  52