(1,10,11,12,15,16,17,31,32-Nonahydroxy-2,7,20,28,35,38-hexaoxo-3,6,21,24,27,34,37-heptaoxaoctacyclo[27.10.2.04,23.05,26.08,13.014,19.033,41.036,40]hentetraconta-8,10,12,14,16,18,29,31,33(41)-nonaen-25-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: (1,10,11,12,15,16,17,31,32-Nonahydroxy-2,7,20,28,35,38-hexaoxo-3,6,21,24,27,34,37-heptaoxaoctacyclo[27.10.2.04,23.05,26.08,13.014,19.033,41.036,40]hentetraconta-8,10,12,14,16,18,29,31,33(41)-nonaen-25-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (1,10,11,12,15,16,17,31,32-nonahydroxy-2,7,20,28,35,38-hexaoxo-3,6,21,24,27,34,37-heptaoxaoctacyclo[27.10.2.04,23.05,26.08,13.014,19.033,41.036,40]hentetraconta-8,10,12,14,16,18,29,31,33(41)-nonaen-25-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₁H₂₈O₂₇
• 分子量: 952.6
• InChiKey: KWJWDQVAMYZQHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  68
• 可旋转键数：
  3
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  436
• 氢给体数：
  12
• 氢受体数：
  27