(6,7,8,11,12,23,24,27,28,29,43,44,45,48,49,50-Hexadecahydroxy-3,15,20,32,40,53-hexaoxo-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaen-37-yl) 3,4,5-trihydroxybenzoate | 108906-54-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (6,7,8,11,12,23,24,27,28,29,43,44,45,48,49,50-Hexadecahydroxy-3,15,20,32,40,53-hexaoxo-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaen-37-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (6,7,8,11,12,23,24,27,28,29,43,44,45,48,49,50-hexadecahydroxy-3,15,20,32,40,53-hexaoxo-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaen-37-yl) 3,4,5-trihydroxybenzoate
• CAS: 108906-54-3
• 化学式: C₅₅H₃₂O₃₄
• 分子量: 1236.8
• InChiKey: PMOWTIMRSISLEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  89
• 可旋转键数：
  3
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  578
• 氢给体数：
  19
• 氢受体数：
  34