[4,5,6,18,19,20,23,24,25,38,39,43,44,45,56,57,58,61,62,63,76,77-Docosahydroxy-9,15,27,34,47,53,66,73-octaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,28,31,33,41,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.122,26.142,46.03,8.011,32.013,30.016,21.035,40.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22(80),23,25,35(40),36,38,42,44,46(79),54,56,58,60,62,64,74,77-tetracosaen-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: [4,5,6,18,19,20,23,24,25,38,39,43,44,45,56,57,58,61,62,63,76,77-Docosahydroxy-9,15,27,34,47,53,66,73-octaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,28,31,33,41,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.122,26.142,46.03,8.011,32.013,30.016,21.035,40.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22(80),23,25,35(40),36,38,42,44,46(79),54,56,58,60,62,64,74,77-tetracosaen-50-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,18,19,20,23,24,25,38,39,43,44,45,56,57,58,61,62,63,76,77-docosahydroxy-9,15,27,34,47,53,66,73-octaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,28,31,33,41,48,52,67,70,72-dodecaoxatridecacyclo[72.2.2.122,26.142,46.03,8.011,32.013,30.016,21.035,40.049,71.051,69.054,59.060,65]octaconta-1(76),3,5,7,16,18,20,22(80),23,25,35(40),36,38,42,44,46(79),54,56,58,60,62,64,74,77-tetracosaen-50-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₂
• 分子量: 1873.3
• InChiKey: WELHVPGJOSLKEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  134
• 可旋转键数：
  6
• 环数：
  16.0
• 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