[4,5,6,18,19,20,23,24,25,38,39,43,44,45,52,60,61-Heptadecahydroxy-53-(hydroxymethyl)-9,15,28,35,48,57-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,34,41,49,54,56-nonaoxadecacyclo[56.2.2.136,40.03,8.011,33.013,31.016,21.022,27.042,47.050,55]trihexaconta-1(60),3,5,7,16,18,20,22,24,26,36,38,40(63),42,44,46,58,61-octadecaen-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: [4,5,6,18,19,20,23,24,25,38,39,43,44,45,52,60,61-Heptadecahydroxy-53-(hydroxymethyl)-9,15,28,35,48,57-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,34,41,49,54,56-nonaoxadecacyclo[56.2.2.136,40.03,8.011,33.013,31.016,21.022,27.042,47.050,55]trihexaconta-1(60),3,5,7,16,18,20,22,24,26,36,38,40(63),42,44,46,58,61-octadecaen-51-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,18,19,20,23,24,25,38,39,43,44,45,52,60,61-heptadecahydroxy-53-(hydroxymethyl)-9,15,28,35,48,57-hexaoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,34,41,49,54,56-nonaoxadecacyclo[56.2.2.136,40.03,8.011,33.013,31.016,21.022,27.042,47.050,55]trihexaconta-1(60),3,5,7,16,18,20,22,24,26,36,38,40(63),42,44,46,58,61-octadecaen-51-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₆₉H₅₂O₄₃
• 分子量: 1569.1
• InChiKey: NUTSSYJZHXXQMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  112
• 可旋转键数：
  7
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  724
• 氢给体数：
  24
• 氢受体数：
  43