3,4,15,16,19,20,21,29,35,36,37,40,41,42,52,53,54-Heptadecahydroxy-6,13,25,28,31,46,49-heptaoxaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.027,48.030,47.033,38.039,44]pentapentaconta-1(55),2,4,8,10,14,16,18,20,22,33,35,37,39,41,43,51,53-octadecaene-7,12,24,32,45,50-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3,4,15,16,19,20,21,29,35,36,37,40,41,42,52,53,54-Heptadecahydroxy-6,13,25,28,31,46,49-heptaoxaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.027,48.030,47.033,38.039,44]pentapentaconta-1(55),2,4,8,10,14,16,18,20,22,33,35,37,39,41,43,51,53-octadecaene-7,12,24,32,45,50-hexone
• 英文别名: 3,4,15,16,19,20,21,29,35,36,37,40,41,42,52,53,54-heptadecahydroxy-6,13,25,28,31,46,49-heptaoxaundecacyclo[49.3.1.02,11.05,10.08,17.09,14.018,23.027,48.030,47.033,38.039,44]pentapentaconta-1(55),2,4,8,10,14,16,18,20,22,33,35,37,39,41,43,51,53-octadecaene-7,12,24,32,45,50-hexone
• 化学式: C₄₈H₂₈O₃₀
• 分子量: 1084.7
• InChiKey: FECYMBSBGFWDCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  78
• 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：
  511
• 氢给体数：
  17
• 氢受体数：
  30