[2-Hydroxy-6-oxo-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]hexan-3-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-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-21-yl]oxy]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-Hydroxy-6-oxo-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]hexan-3-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-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-21-yl]oxy]benzoate
• 英文别名: [2-hydroxy-6-oxo-1,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]hexan-3-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-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-21-yl]oxy]benzoate
• 化学式: C₇₅H₅₆O₄₈
• 分子量: 1725.2
• InChiKey: REZBVFLHMLXZQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  123
• 可旋转键数：
  28
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  818
• 氢给体数：
  27
• 氢受体数：
  48