[4,5,6,18,19,20,23,24,25,38,42,43,44,56,57,58,61,62,63,76,77,79-Docosahydroxy-9,15,28,35,47,53,66,73-octaoxo-50-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22,24,26,36,38,41,43,45,54,56,58,60,62,64,74,77,79-tetracosaen-12-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: [4,5,6,18,19,20,23,24,25,38,42,43,44,56,57,58,61,62,63,76,77,79-Docosahydroxy-9,15,28,35,47,53,66,73-octaoxo-50-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22,24,26,36,38,41,43,45,54,56,58,60,62,64,74,77,79-tetracosaen-12-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,18,19,20,23,24,25,38,42,43,44,56,57,58,61,62,63,76,77,79-docosahydroxy-9,15,28,35,47,53,66,73-octaoxo-50-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22,24,26,36,38,41,43,45,54,56,58,60,62,64,74,77,79-tetracosaen-12-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₂
• 分子量: 1873.3
• InChiKey: YPSRDTZNKOFIAJ-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