4,5,6,15,22,23,24,27,28,29,41,42,48,49-Tetradecahydroxy-2,10,11,14,17,18,31,33,36,37,44-undecaoxanonacyclo[37.9.3.126,30.03,8.013,35.016,34.020,25.043,51.046,50]dopentaconta-1(48),3,5,7,20,22,24,26(52),27,29,39,41,43(51),46,49-pentadecaen-45-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 4,5,6,15,22,23,24,27,28,29,41,42,48,49-Tetradecahydroxy-2,10,11,14,17,18,31,33,36,37,44-undecaoxanonacyclo[37.9.3.126,30.03,8.013,35.016,34.020,25.043,51.046,50]dopentaconta-1(48),3,5,7,20,22,24,26(52),27,29,39,41,43(51),46,49-pentadecaen-45-one
• 英文别名: 4,5,6,15,22,23,24,27,28,29,41,42,48,49-tetradecahydroxy-2,10,11,14,17,18,31,33,36,37,44-undecaoxanonacyclo[37.9.3.126,30.03,8.013,35.016,34.020,25.043,51.046,50]dopentaconta-1(48),3,5,7,20,22,24,26(52),27,29,39,41,43(51),46,49-pentadecaen-45-one
• 化学式: C₄₁H₃₄O₂₆
• 分子量: 942.7
• InChiKey: FYSYRIJFYUVSJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  67
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  402
• 氢给体数：
  14
• 氢受体数：
  26