Methyl 2-[(46-hydroxy-8,9,12,13,14,25,26,27,30,31,32,35,36,37-tetradecamethoxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-7-yl)oxy]-3,4,5-trimethoxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Methyl 2-[(46-hydroxy-8,9,12,13,14,25,26,27,30,31,32,35,36,37-tetradecamethoxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-7-yl)oxy]-3,4,5-trimethoxybenzoate
• 英文别名: methyl 2-[(46-hydroxy-8,9,12,13,14,25,26,27,30,31,32,35,36,37-tetradecamethoxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-7-yl)oxy]-3,4,5-trimethoxybenzoate
• 化学式: C₆₆H₆₆O₃₁
• 分子量: 1355.2
• InChiKey: YPHGRSGUYHEMGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  97
• 可旋转键数：
  21
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  344
• 氢给体数：
  1
• 氢受体数：
  31