[2-[2-[5-[[3,4,5,14,19,20,21-Heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [2-[2-[5-[[3,4,5,14,19,20,21-Heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate
• 英文别名: [2-[2-[5-[[3,4,5,14,19,20,21-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate
• 化学式: C₅₃H₄₄O₃₄
• 分子量: 1224.9
• InChiKey: BINTVXYUTGAVOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  87
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  584
• 氢给体数：
  21
• 氢受体数：
  34