[1-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 2-[[11,39-diformyl-4,5,6,14,24,24,25,28,32,33,34,42,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,60-heptaoxo-12,40-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,26,30,38,44,58,61-nonaoxadecacyclo[39.13.4.213,21.118,29.03,8.019,27.020,25.031,36.046,51.052,56]henhexaconta-1(54),3,5,7,18(59),19(27),21,28,31,33,35,46,48,50,52,55-hexadecaen-48-yl]oxy]-3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [1-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 2-[[11,39-diformyl-4,5,6,14,24,24,25,28,32,33,34,42,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,60-heptaoxo-12,40-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,26,30,38,44,58,61-nonaoxadecacyclo[39.13.4.213,21.118,29.03,8.019,27.020,25.031,36.046,51.052,56]henhexaconta-1(54),3,5,7,18(59),19(27),21,28,31,33,35,46,48,50,52,55-hexadecaen-48-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 2-[[11,39-diformyl-4,5,6,14,24,24,25,28,32,33,34,42,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,60-heptaoxo-12,40-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,16,26,30,38,44,58,61-nonaoxadecacyclo[39.13.4.213,21.118,29.03,8.019,27.020,25.031,36.046,51.052,56]henhexaconta-1(54),3,5,7,18(59),19(27),21,28,31,33,35,46,48,50,52,55-hexadecaen-48-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₁₀₂H₇₂O₆₇
• 分子量: 2369.6
• InChiKey: VOCXIVHLNPTMST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  169
• 可旋转键数：
  19
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  1130
• 氢给体数：
  35
• 氢受体数：
  67