[4,5,6,18,19,20,23,24,25,38,42,43,44,51,59,60,62-Heptadecahydroxy-52-(hydroxymethyl)-9,15,28,35,47,56-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,53,55-decaoxadecacyclo[55.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,54]trihexaconta-1(59),3,5,7,16,18,20,22,24,26,36,38,41,43,45,57,60,62-octadecaen-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: [4,5,6,18,19,20,23,24,25,38,42,43,44,51,59,60,62-Heptadecahydroxy-52-(hydroxymethyl)-9,15,28,35,47,56-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,53,55-decaoxadecacyclo[55.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,54]trihexaconta-1(59),3,5,7,16,18,20,22,24,26,36,38,41,43,45,57,60,62-octadecaen-50-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,18,19,20,23,24,25,38,42,43,44,51,59,60,62-heptadecahydroxy-52-(hydroxymethyl)-9,15,28,35,47,56-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34,40,48,53,55-decaoxadecacyclo[55.2.2.236,39.03,8.011,33.013,31.016,21.022,27.041,46.049,54]trihexaconta-1(59),3,5,7,16,18,20,22,24,26,36,38,41,43,45,57,60,62-octadecaen-50-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₆₈H₅₀O₄₄
• 分子量: 1571.1
• InChiKey: HSPMYIKGIFAKLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  112
• 可旋转键数：
  7
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  733
• 氢给体数：
  24
• 氢受体数：
  44