28-(3,4,5,15,16,17,19-Heptahydroxy-8,13-dioxo-9,12-dioxatetracyclo[12.3.1.16,10.02,7]nonadeca-1(18),2(7),3,5,14,16-hexaen-11-yl)-3,4,15,16,19,20,21,27,32,33,34-undecahydroxy-6,13,25,29-tetraoxaheptacyclo[29.3.1.02,11.05,10.08,17.09,14.018,23]pentatriaconta-1(35),2,4,8,10,14,16,18,20,22,31,33-dodecaene-7,12,24,30-tetrone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 28-(3,4,5,15,16,17,19-Heptahydroxy-8,13-dioxo-9,12-dioxatetracyclo[12.3.1.16,10.02,7]nonadeca-1(18),2(7),3,5,14,16-hexaen-11-yl)-3,4,15,16,19,20,21,27,32,33,34-undecahydroxy-6,13,25,29-tetraoxaheptacyclo[29.3.1.02,11.05,10.08,17.09,14.018,23]pentatriaconta-1(35),2,4,8,10,14,16,18,20,22,31,33-dodecaene-7,12,24,30-tetrone
• 英文别名: 28-(3,4,5,15,16,17,19-heptahydroxy-8,13-dioxo-9,12-dioxatetracyclo[12.3.1.16,10.02,7]nonadeca-1(18),2(7),3,5,14,16-hexaen-11-yl)-3,4,15,16,19,20,21,27,32,33,34-undecahydroxy-6,13,25,29-tetraoxaheptacyclo[29.3.1.02,11.05,10.08,17.09,14.018,23]pentatriaconta-1(35),2,4,8,10,14,16,18,20,22,31,33-dodecaene-7,12,24,30-tetrone
• 化学式: C₄₈H₂₈O₃₀
• 分子量: 1084.7
• InChiKey: NBGXKXFNISWDEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  78
• 可旋转键数：
  1
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  522
• 氢给体数：
  18
• 氢受体数：
  30