(3,4,4,5,5,9,23,24,25,28,29,30,43,44-Tetradecahydroxy-15,20,33,41-tetraoxo-7,11,16,19,34,37,40,47-octaoxadecacyclo[40.3.1.13,45.02,14.06,14.08,12.017,36.018,39.021,26.027,32]heptatetraconta-1(46),21,23,25,27,29,31,42,44-nonaen-38-yl) 2,3,4-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (3,4,4,5,5,9,23,24,25,28,29,30,43,44-Tetradecahydroxy-15,20,33,41-tetraoxo-7,11,16,19,34,37,40,47-octaoxadecacyclo[40.3.1.13,45.02,14.06,14.08,12.017,36.018,39.021,26.027,32]heptatetraconta-1(46),21,23,25,27,29,31,42,44-nonaen-38-yl) 2,3,4-trihydroxybenzoate
• 英文别名: (3,4,4,5,5,9,23,24,25,28,29,30,43,44-tetradecahydroxy-15,20,33,41-tetraoxo-7,11,16,19,34,37,40,47-octaoxadecacyclo[40.3.1.13,45.02,14.06,14.08,12.017,36.018,39.021,26.027,32]heptatetraconta-1(46),21,23,25,27,29,31,42,44-nonaen-38-yl) 2,3,4-trihydroxybenzoate
• 化学式: C₄₆H₃₈O₃₁
• 分子量: 1086.8
• InChiKey: WLQFIYTUVXJFPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  77
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  512
• 氢给体数：
  17
• 氢受体数：
  31