7,8,9,12,13,24,25,28,29,30,39,45,46,47,50,51,52-Heptadecahydroxy-2,3,15,22,34,35,38,41,56-nonaoxaundecacyclo[35.20.0.05,10.011,20.014,19.017,26.018,23.027,32.040,57.043,48.049,54]heptapentaconta-5,7,9,11,13,17,19,23,25,27,29,31,43,45,47,49,51,53-octadecaene-4,16,21,33,42,55-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 7,8,9,12,13,24,25,28,29,30,39,45,46,47,50,51,52-Heptadecahydroxy-2,3,15,22,34,35,38,41,56-nonaoxaundecacyclo[35.20.0.05,10.011,20.014,19.017,26.018,23.027,32.040,57.043,48.049,54]heptapentaconta-5,7,9,11,13,17,19,23,25,27,29,31,43,45,47,49,51,53-octadecaene-4,16,21,33,42,55-hexone
• 英文别名: 7,8,9,12,13,24,25,28,29,30,39,45,46,47,50,51,52-heptadecahydroxy-2,3,15,22,34,35,38,41,56-nonaoxaundecacyclo[35.20.0.05,10.011,20.014,19.017,26.018,23.027,32.040,57.043,48.049,54]heptapentaconta-5,7,9,11,13,17,19,23,25,27,29,31,43,45,47,49,51,53-octadecaene-4,16,21,33,42,55-hexone
• 化学式: C₄₈H₂₈O₃₂
• 分子量: 1116.7
• InChiKey: FUVJOQCLUAFSFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  80
• 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：
  529
• 氢给体数：
  17
• 氢受体数：
  32