(3',4',10,11,12,15,16,17,30,31,34,35,40-Tridecahydroxy-2,7,19,27-tetraoxospiro[3,6,20,23,26,33,36,39-octaoxadecacyclo[26.13.2.114,18.01,37.04,22.05,25.08,13.032,43.034,40.035,42]tetratetraconta-8,10,12,14(44),15,17,28,30,32(43)-nonaene-38,2'-oxolane]-24-yl) 3,4,5-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',10,11,12,15,16,17,30,31,34,35,40-Tridecahydroxy-2,7,19,27-tetraoxospiro[3,6,20,23,26,33,36,39-octaoxadecacyclo[26.13.2.114,18.01,37.04,22.05,25.08,13.032,43.034,40.035,42]tetratetraconta-8,10,12,14(44),15,17,28,30,32(43)-nonaene-38,2'-oxolane]-24-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (3',4',10,11,12,15,16,17,30,31,34,35,40-tridecahydroxy-2,7,19,27-tetraoxospiro[3,6,20,23,26,33,36,39-octaoxadecacyclo[26.13.2.114,18.01,37.04,22.05,25.08,13.032,43.034,40.035,42]tetratetraconta-8,10,12,14(44),15,17,28,30,32(43)-nonaene-38,2'-oxolane]-24-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₆H₃₆O₃₁
• 分子量: 1084.8
• InChiKey: MVHHWJJOLVFRSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  77
• 可旋转键数：
  3
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  501
• 氢给体数：
  16
• 氢受体数：
  31