(14,15,16,27,28,29,32,33,34-Nonahydroxy-6,9,10,11,19,24,37-heptaoxo-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,13,15,17,25,27,29,31,33,35-decaen-3-yl) 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: (14,15,16,27,28,29,32,33,34-Nonahydroxy-6,9,10,11,19,24,37-heptaoxo-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,13,15,17,25,27,29,31,33,35-decaen-3-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (14,15,16,27,28,29,32,33,34-nonahydroxy-6,9,10,11,19,24,37-heptaoxo-2,5,20,23,38-pentaoxaheptacyclo[19.18.0.04,22.07,12.013,18.025,30.031,36]nonatriaconta-7,13,15,17,25,27,29,31,33,35-decaen-3-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₁H₂₆O₂₆
• 分子量: 934.6
• InChiKey: DJFTVQHEUVITLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  67
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  435
• 氢给体数：
  12
• 氢受体数：
  26