6,7,8,11,12,24,27,28,29,37,43,44,45,48,49,50-Hexadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16(25),17(22),18,23,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 6,7,8,11,12,24,27,28,29,37,43,44,45,48,49,50-Hexadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16(25),17(22),18,23,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
• 英文别名: 6,7,8,11,12,24,27,28,29,37,43,44,45,48,49,50-hexadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16(25),17(22),18,23,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
• 化学式: C₄₈H₂₈O₂₉
• 分子量: 1068.7
• InChiKey: LMIBIMUSUFYFJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  77
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  491
• 氢给体数：
  16
• 氢受体数：
  29