3-[[9,10,11,14,15,16,27,28,29,32,33,34-Dodecahydroxy-6,19,24,37-tetraoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,13,15,17,25(30),26,28,31,33,35-dodecaen-26-yl]oxy]-4,5-dihydroxybenzoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3-[[9,10,11,14,15,16,27,28,29,32,33,34-Dodecahydroxy-6,19,24,37-tetraoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,13,15,17,25(30),26,28,31,33,35-dodecaen-26-yl]oxy]-4,5-dihydroxybenzoic acid
• 英文别名: 3-[[9,10,11,14,15,16,27,28,29,32,33,34-dodecahydroxy-6,19,24,37-tetraoxo-3-(3,4,5-trihydroxybenzoyl)oxy-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,9,11,13,15,17,25(30),26,28,31,33,35-dodecaen-26-yl]oxy]-4,5-dihydroxybenzoic acid
• 化学式: C₄₈H₃₂O₃₁
• 分子量: 1104.7
• InChiKey: IAUYGGZEQMVBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  79
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  531
• 氢给体数：
  18
• 氢受体数：
  31