[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(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-12-yl] 2-[[4,5,6,12,24,24,25,28,32,33,34,40,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,62-heptaoxo-60,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,26,30,38,41,44,58,63-undecaoxadodecacyclo[37.15.6.411,21.118,29.03,8.019,27.020,25.031,36.042,59.046,51.052,56.014,64]pentahexaconta-1(54),3,5,7,18(61),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: [3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(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-12-yl] 2-[[4,5,6,12,24,24,25,28,32,33,34,40,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,62-heptaoxo-60,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,26,30,38,41,44,58,63-undecaoxadodecacyclo[37.15.6.411,21.118,29.03,8.019,27.020,25.031,36.042,59.046,51.052,56.014,64]pentahexaconta-1(54),3,5,7,18(61),19(27),21,28,31,33,35,46,48,50,52,55-hexadecaen-48-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(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-12-yl] 2-[[4,5,6,12,24,24,25,28,32,33,34,40,49,50,53,54-hexadecahydroxy-9,17,23,37,45,57,62-heptaoxo-60,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,26,30,38,41,44,58,63-undecaoxadodecacyclo[37.15.6.411,21.118,29.03,8.019,27.020,25.031,36.042,59.046,51.052,56.014,64]pentahexaconta-1(54),3,5,7,18(61),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: RDGXVBJDIDOODN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  169
• 可旋转键数：
  14
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  1110
• 氢给体数：
  35
• 氢受体数：
  67