7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-Hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone | 145826-29-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-Hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone
• 英文别名: 7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone
• CAS: 145826-29-5
• 化学式: C₅₅H₃₄O₃₁
• 分子量: 1190.8
• InChiKey: FBMMPPRXNHNHJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  86
• 可旋转键数：
  0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  525
• 氢给体数：
  16
• 氢受体数：
  31