[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,12-bis[(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-13-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxoniatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-6-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: [3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,12-bis[(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-13-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxoniatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-6-yl)oxy]benzoate
• 英文别名: [3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(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-13-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxoniatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-6-yl)oxy]benzoate
• 化学式: C55H38O34+2
• 分子量: 1242.9
• InChiKey: HGSRONMVZITCSE-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  89
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  550
• 氢给体数：
  20
• 氢受体数：
  32