1-[[38-(Carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-12-ethyl-4,24,31-trihydroxy-4-[(4-hydroxyphenyl)methyl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11(16),12,14,19,33,36-octaen-9-yn-34-yl]methyl]cyclohexane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1-[[38-(Carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-12-ethyl-4,24,31-trihydroxy-4-[(4-hydroxyphenyl)methyl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11(16),12,14,19,33,36-octaen-9-yn-34-yl]methyl]cyclohexane-1-carboxylic acid
• 英文别名: 1-[[38-(carboxymethyl)-19-(3,4-dihydroxyoct-1-enyl)-20-(2,3-dihydroxypropyl)-12-ethyl-4,24,31-trihydroxy-4-[(4-hydroxyphenyl)methyl]-27-methyl-26,39-diazahexacyclo[31.2.2.13,21.125,30.03,8.011,16]nonatriaconta-1(35),6,11(16),12,14,19,33,36-octaen-9-yn-34-yl]methyl]cyclohexane-1-carboxylic acid
• 化学式: C₆₈H₉₂N₂O₁₂
• 分子量: 1129.5
• InChiKey: CKWLFQIKTBCUJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  82
• 可旋转键数：
  17
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  261
• 氢给体数：
  12
• 氢受体数：
  14