[4,5,6,12,13,16,17,18,32,33,34,37,38,42,43,44,58,59,60,63,64-Henicosahydroxy-9,21,29,47,55,67,72,77-octaoxo-26,52-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,22,25,28,40,48,51,54,68,73,76-dodecaoxatetradecacyclo[47.15.5.511,24.523,39.03,8.015,20.030,35.041,46.053,69.056,61.062,66.014,78.027,74.036,71]nonaheptaconta-1(64),3,5,7,11,13,15,17,19,30,32,34,36,38,41,43,45,56,58,60,62,65,70,78-tetracosaen-50-yl]methyl 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: [4,5,6,12,13,16,17,18,32,33,34,37,38,42,43,44,58,59,60,63,64-Henicosahydroxy-9,21,29,47,55,67,72,77-octaoxo-26,52-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,22,25,28,40,48,51,54,68,73,76-dodecaoxatetradecacyclo[47.15.5.511,24.523,39.03,8.015,20.030,35.041,46.053,69.056,61.062,66.014,78.027,74.036,71]nonaheptaconta-1(64),3,5,7,11,13,15,17,19,30,32,34,36,38,41,43,45,56,58,60,62,65,70,78-tetracosaen-50-yl]methyl 3,4,5-trihydroxybenzoate
• 化学式: C₈₉H₅₈O₅₆
• 分子量: 2023.4
• InChiKey: CBXMRQSWJCCTJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  145
• 可旋转键数：
  10
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  933
• 氢给体数：
  30
• 氢受体数：
  56