3,7,8,9,15,16,22,23,24,29,33,34,35,41,42,48,49,50,58,59-Icosahydroxy-5,13,18,31,39,44,54,57,61,64-decaoxaundecacyclo[38.12.5.514,27.14,52.126,30.06,11.020,25.032,37.043,56.046,51.017,63]tetrahexaconta-1,3,6,8,10,20,22,24,26(59),27,29,32,34,36,46,48,50,52(58)-octadecaene-12,19,38,45,53,60-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3,7,8,9,15,16,22,23,24,29,33,34,35,41,42,48,49,50,58,59-Icosahydroxy-5,13,18,31,39,44,54,57,61,64-decaoxaundecacyclo[38.12.5.514,27.14,52.126,30.06,11.020,25.032,37.043,56.046,51.017,63]tetrahexaconta-1,3,6,8,10,20,22,24,26(59),27,29,32,34,36,46,48,50,52(58)-octadecaene-12,19,38,45,53,60-hexone
• 英文别名: 3,7,8,9,15,16,22,23,24,29,33,34,35,41,42,48,49,50,58,59-icosahydroxy-5,13,18,31,39,44,54,57,61,64-decaoxaundecacyclo[38.12.5.514,27.14,52.126,30.06,11.020,25.032,37.043,56.046,51.017,63]tetrahexaconta-1,3,6,8,10,20,22,24,26(59),27,29,32,34,36,46,48,50,52(58)-octadecaene-12,19,38,45,53,60-hexone
• 化学式: C₅₄H₄₀O₃₆
• 分子量: 1264.9
• InChiKey: UPNQRBOSMMKRSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  90
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  599
• 氢给体数：
  20
• 氢受体数：
  36