12,13,17,18,18,32,33,42,43-Nonahydroxy-5,8,23,26,28,35,40,46,49-nonaoxadecacyclo[23.19.3.114,17.130,34.02,41.03,37.06,24.07,27.010,15.016,21]nonatetraconta-1(44),2(41),10,12,14,20,30,32,34(48),42-decaene-4,9,19,22,29,36,39,45-octone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 12,13,17,18,18,32,33,42,43-Nonahydroxy-5,8,23,26,28,35,40,46,49-nonaoxadecacyclo[23.19.3.114,17.130,34.02,41.03,37.06,24.07,27.010,15.016,21]nonatetraconta-1(44),2(41),10,12,14,20,30,32,34(48),42-decaene-4,9,19,22,29,36,39,45-octone
• 英文别名: 12,13,17,18,18,32,33,42,43-nonahydroxy-5,8,23,26,28,35,40,46,49-nonaoxadecacyclo[23.19.3.114,17.130,34.02,41.03,37.06,24.07,27.010,15.016,21]nonatetraconta-1(44),2(41),10,12,14,20,30,32,34(48),42-decaene-4,9,19,22,29,36,39,45-octone
• 化学式: C₄₀H₂₆O₂₆
• 分子量: 922.6
• InChiKey: ANLFXIUFTZRGPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  66
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  402
• 氢给体数：
  9
• 氢受体数：
  26