Methyl 13-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,6,7,8,18-pentahydroxy-2,11,16-trioxo-12,15-dioxatetracyclo[12.3.1.04,17.05,10]octadeca-1(17),5,7,9-tetraene-3-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Methyl 13-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,6,7,8,18-pentahydroxy-2,11,16-trioxo-12,15-dioxatetracyclo[12.3.1.04,17.05,10]octadeca-1(17),5,7,9-tetraene-3-carboxylate
• 英文别名: methyl 13-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,6,7,8,18-pentahydroxy-2,11,16-trioxo-12,15-dioxatetracyclo[12.3.1.04,17.05,10]octadeca-1(17),5,7,9-tetraene-3-carboxylate
• 化学式: C₄₂H₃₀O₂₇
• 分子量: 966.7
• InChiKey: SLFBWCUUJQOGFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  69
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  458
• 氢给体数：
  14
• 氢受体数：
  27