2-[[9,10,11,14,14,15,15,27,28,29,32,33-Dodecahydroxy-6,16,19,24,37-pentaoxo-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-7,9,11,17,25,27,29,31,33,35-decaen-34-yl]oxy]-3,4,5-trihydroxybenzoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 2-[[9,10,11,14,14,15,15,27,28,29,32,33-Dodecahydroxy-6,16,19,24,37-pentaoxo-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-7,9,11,17,25,27,29,31,33,35-decaen-34-yl]oxy]-3,4,5-trihydroxybenzoic acid
• 英文别名: 2-[[9,10,11,14,14,15,15,27,28,29,32,33-dodecahydroxy-6,16,19,24,37-pentaoxo-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-7,9,11,17,25,27,29,31,33,35-decaen-34-yl]oxy]-3,4,5-trihydroxybenzoic acid
• 化学式: C₄₈H₃₄O₃₃
• 分子量: 1138.8
• InChiKey: QIPHHQAKWFMFOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  81
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  569
• 氢给体数：
  19
• 氢受体数：
  33