4-butan-2-yl-2,11,14,17,20,29,32,35,44,47,50,59,62,65,68-pentadecahydroxy-22-(1-hydroxyethyl)-19-(2-hydroxy-2-iminoethyl)-66-(hydroxymethyl)-16,31,48-tris(1H-indol-3-ylmethyl)-34-methyl-57-(2-methylpropyl)-5,23,56,74-tetraoxo-39,40-dithia-3,6,12,15,18,21,24,30,33,36,43,46,49,55,58,61,64,67,73-nonadecazahexacyclo[40.21.11.06,10.024,28.051,55.069,73]tetraheptaconta-2,11,14,17,20,29,32,35,43,46,49,58,61,64,67-pentadecaene-37-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 4-butan-2-yl-2,11,14,17,20,29,32,35,44,47,50,59,62,65,68-pentadecahydroxy-22-(1-hydroxyethyl)-19-(2-hydroxy-2-iminoethyl)-66-(hydroxymethyl)-16,31,48-tris(1H-indol-3-ylmethyl)-34-methyl-57-(2-methylpropyl)-5,23,56,74-tetraoxo-39,40-dithia-3,6,12,15,18,21,24,30,33,36,43,46,49,55,58,61,64,67,73-nonadecazahexacyclo[40.21.11.06,10.024,28.051,55.069,73]tetraheptaconta-2,11,14,17,20,29,32,35,43,46,49,58,61,64,67-pentadecaene-37-carboxylic acid
• 化学式: C₉₅H₁₂₅N₂₃O₂₄S₂
• 分子量: 2037.3
• InChiKey: AIWISRBXXSPKOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  144
• 可旋转键数：
  15
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  737
• 氢给体数：
  22
• 氢受体数：
  26