[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-[[4,5,6,12,25,25,26,29,33,34,35,41,50,51,54,55-hexadecahydroxy-9,17,24,38,46,58,62-heptaoxo-61,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,27,31,39,42,45,59,63-undecaoxadodecacyclo[38.15.6.411,22.03,8.018,30.020,28.021,26.032,37.043,60.047,52.053,57.014,64]pentahexaconta-1(55),3,5,7,18(30),19,22,28,32,34,36,47,49,51,53,56-hexadecaen-49-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-[[4,5,6,12,25,25,26,29,33,34,35,41,50,51,54,55-hexadecahydroxy-9,17,24,38,46,58,62-heptaoxo-61,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,27,31,39,42,45,59,63-undecaoxadodecacyclo[38.15.6.411,22.03,8.018,30.020,28.021,26.032,37.043,60.047,52.053,57.014,64]pentahexaconta-1(55),3,5,7,18(30),19,22,28,32,34,36,47,49,51,53,56-hexadecaen-49-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-[[4,5,6,12,25,25,26,29,33,34,35,41,50,51,54,55-hexadecahydroxy-9,17,24,38,46,58,62-heptaoxo-61,65-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,27,31,39,42,45,59,63-undecaoxadodecacyclo[38.15.6.411,22.03,8.018,30.020,28.021,26.032,37.043,60.047,52.053,57.014,64]pentahexaconta-1(55),3,5,7,18(30),19,22,28,32,34,36,47,49,51,53,56-hexadecaen-49-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₁₀₂H₇₂O₆₇
• 分子量: 2369.6
• InChiKey: JLZNWBFMTSADQD-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