2-[(3,4,5-Trihydroxyphenylcarbonyloxy)methyl]-4,5,6-tris(3,4,5-trihydroxyphenylcarbonyloxy)-2H-3,4,5,6-tetrahydropyran-3-yl 3,4,5-trihydroxy-2-[3,4,5,6,7-pentahydroxy-9,17-dioxo-13,14,15-tris(3,4,5-trihydroxyphenylcarbonyloxy)(10,11,13,14,15,16,11a,15a-octahydro-11aH-dibenzo[a,c]pyrano[3,2-g][11]annulen-2-yloxy)]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-[(3,4,5-Trihydroxyphenylcarbonyloxy)methyl]-4,5,6-tris(3,4,5-trihydroxyphenylcarbonyloxy)-2H-3,4,5,6-tetrahydropyran-3-yl 3,4,5-trihydroxy-2-[3,4,5,6,7-pentahydroxy-9,17-dioxo-13,14,15-tris(3,4,5-trihydroxyphenylcarbonyloxy)(10,11,13,14,15,16,11a,15a-octahydro-11aH-dibenzo[a,c]pyrano[3,2-g][11]annulen-2-yloxy)]benzoate
• 英文别名: [4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoate
• 化学式: C₈₂H₆₀O₅₂
• 分子量: 1877.3
• InChiKey: YSSBESKZQJIWSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  134
• 可旋转键数：
  27
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  877
• 氢给体数：
  29
• 氢受体数：
  52