(1,2,2,3,3,7,10,21,22,23,26,27,28,42,43-Pentadecahydroxy-13,18,31,39-tetraoxo-5,9,14,17,32,35,38,47-octaoxadecacyclo[42.2.1.04,12.06,10.012,46.015,34.016,37.019,24.025,30.040,45]heptatetraconta-19,21,23,25,27,29,40,42,44-nonaen-36-yl) 2,3,4-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (1,2,2,3,3,7,10,21,22,23,26,27,28,42,43-Pentadecahydroxy-13,18,31,39-tetraoxo-5,9,14,17,32,35,38,47-octaoxadecacyclo[42.2.1.04,12.06,10.012,46.015,34.016,37.019,24.025,30.040,45]heptatetraconta-19,21,23,25,27,29,40,42,44-nonaen-36-yl) 2,3,4-trihydroxybenzoate
• 英文别名: (1,2,2,3,3,7,10,21,22,23,26,27,28,42,43-pentadecahydroxy-13,18,31,39-tetraoxo-5,9,14,17,32,35,38,47-octaoxadecacyclo[42.2.1.04,12.06,10.012,46.015,34.016,37.019,24.025,30.040,45]heptatetraconta-19,21,23,25,27,29,40,42,44-nonaen-36-yl) 2,3,4-trihydroxybenzoate
• 化学式: C₄₆H₃₈O₃₂
• 分子量: 1102.8
• InChiKey: DDOAOIYLIYNISR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  78
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  533
• 氢给体数：
  18
• 氢受体数：
  32