4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-Octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-Octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone
• 英文别名: 4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone
• 化学式: C₅₅H₃₀O₃₄
• 分子量: 1234.8
• InChiKey: MLBNOYSFHXHCOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  89
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  567
• 氢给体数：
  18
• 氢受体数：
  34