3,8,13,20,36,57-Hexahydroxy-71-(2-hydroxyethyl)-58-(2-methylpropyl)-11,73-dioxa-17,18,62,63-tetrathia-48-azapentadecacyclo[44.13.6.236,39.241,44.12,6.112,21.125,33.150,54.05,10.09,23.019,28.022,27.026,31.049,64.056,60]triheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,41(68),42,44(67),50,52,54(66),56,58-octadecaen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3,8,13,20,36,57-Hexahydroxy-71-(2-hydroxyethyl)-58-(2-methylpropyl)-11,73-dioxa-17,18,62,63-tetrathia-48-azapentadecacyclo[44.13.6.236,39.241,44.12,6.112,21.125,33.150,54.05,10.09,23.019,28.022,27.026,31.049,64.056,60]triheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,41(68),42,44(67),50,52,54(66),56,58-octadecaen-4-one
• 英文别名: 3,8,13,20,36,57-hexahydroxy-71-(2-hydroxyethyl)-58-(2-methylpropyl)-11,73-dioxa-17,18,62,63-tetrathia-48-azapentadecacyclo[44.13.6.236,39.241,44.12,6.112,21.125,33.150,54.05,10.09,23.019,28.022,27.026,31.049,64.056,60]triheptaconta-1(60),2,5,7,9,22,24,26(31),27,29,41(68),42,44(67),50,52,54(66),56,58-octadecaen-4-one
• 化学式: C₇₂H₇₉NO₁₀S₄
• 分子量: 1246.7
• InChiKey: HMLQYFXMWWLSNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  87
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  290
• 氢给体数：
  8
• 氢受体数：
  15