32-(1-Cyclopentylethyl)-27,28,29,36,48-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatridecacyclo[28.17.1.118,25.137,40.02,28.03,45.05,24.05,27.010,15.019,23.035,48.037,47.042,46]pentaconta-10(15),11,13,22,42(46),44-hexaen-8-yne-1-carbaldehyde

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 32-(1-Cyclopentylethyl)-27,28,29,36,48-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatridecacyclo[28.17.1.118,25.137,40.02,28.03,45.05,24.05,27.010,15.019,23.035,48.037,47.042,46]pentaconta-10(15),11,13,22,42(46),44-hexaen-8-yne-1-carbaldehyde
• 英文别名: 32-(1-cyclopentylethyl)-27,28,29,36,48-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatridecacyclo[28.17.1.118,25.137,40.02,28.03,45.05,24.05,27.010,15.019,23.035,48.037,47.042,46]pentaconta-10(15),11,13,22,42(46),44-hexaen-8-yne-1-carbaldehyde
• 化学式: C₅₉H₇₃NO₉
• 分子量: 940.2
• InChiKey: PIPPQHHGDIJTDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  69
• 可旋转键数：
  5
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10