(3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',38'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,40'-3,6,21,24,27,42-hexaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-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: (3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',38'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,40'-3,6,21,24,27,42-hexaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₈H₃₆O₃₁
• 分子量: 1108.8
• InChiKey: MRCVTOCCIUZECE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  79
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  506
• 氢给体数：
  15
• 氢受体数：
  31