(3S,6S,7R,32R,33R,35S)-17,40,41,50,51-pentahydroxy-5,8,31,34,36,43,48,54-octaoxa-19,26-diazaundecacyclo[31.19.3.138,42.02,49.03,45.06,32.07,35.010,15.016,29.018,27.020,25]hexapentaconta-1(52),2(49),10,14,16,18(27),20,22,24,28,38,40,42(56),50-tetradecaene-4,9,12,13,30,37,44,47,53-nonone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (3S,6S,7R,32R,33R,35S)-17,40,41,50,51-pentahydroxy-5,8,31,34,36,43,48,54-octaoxa-19,26-diazaundecacyclo[31.19.3.138,42.02,49.03,45.06,32.07,35.010,15.016,29.018,27.020,25]hexapentaconta-1(52),2(49),10,14,16,18(27),20,22,24,28,38,40,42(56),50-tetradecaene-4,9,12,13,30,37,44,47,53-nonone
• 化学式: C₄₆H₂₈N₂O₂₂
• 分子量: 960.7
• InChiKey: DJMPKWBRFRPPFM-KGGOZSBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  70
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  353
• 氢给体数：
  7
• 氢受体数：
  24