3,4,5,16,17,18,21,22,23,29,37,38,39,43,55,56-Hexadecahydroxy-9,12,27,30,33,41,47,52-octaoxaundecacyclo[46.6.2.02,7.010,31.011,28.014,19.020,25.035,40.042,51.045,50.049,54]hexapentaconta-1(55),2,4,6,14,16,18,20,22,24,35,37,39,42,44,48(56),49(54),50-octadecaene-8,13,26,34,46,53-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3,4,5,16,17,18,21,22,23,29,37,38,39,43,55,56-Hexadecahydroxy-9,12,27,30,33,41,47,52-octaoxaundecacyclo[46.6.2.02,7.010,31.011,28.014,19.020,25.035,40.042,51.045,50.049,54]hexapentaconta-1(55),2,4,6,14,16,18,20,22,24,35,37,39,42,44,48(56),49(54),50-octadecaene-8,13,26,34,46,53-hexone
• 英文别名: 3,4,5,16,17,18,21,22,23,29,37,38,39,43,55,56-hexadecahydroxy-9,12,27,30,33,41,47,52-octaoxaundecacyclo[46.6.2.02,7.010,31.011,28.014,19.020,25.035,40.042,51.045,50.049,54]hexapentaconta-1(55),2,4,6,14,16,18,20,22,24,35,37,39,42,44,48(56),49(54),50-octadecaene-8,13,26,34,46,53-hexone
• 化学式: C₄₈H₂₈O₃₀
• 分子量: 1084.7
• InChiKey: ATMAUXPNIAMDBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  78
• 可旋转键数：
  0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  500
• 氢给体数：
  16
• 氢受体数：
  30