2-[5-[3-[2,3-Dihydroxy-6-[[4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]oxycarbonyl-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 2-[5-[3-[2,3-Dihydroxy-6-[[4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]oxycarbonyl-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
• 英文别名: 2-[5-[3-[2,3-dihydroxy-6-[[4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]oxycarbonyl-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
• 化学式: C₆₁H₄₈O₄₀
• 分子量: 1421.0
• InChiKey: ULJREJAFTFEKCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  101
• 可旋转键数：
  19
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  666
• 氢给体数：
  22
• 氢受体数：
  40