9-(1-Cyclopentylethyl)-5,6,13,64,70-pentahydroxy-51-(hydroxymethyl)-54-(methylamino)-58-oxo-57-oxahexadecacyclo[42.20.1.112,16.116,19.122,26.141,44.155,62.01,61.04,14.05,64.07,13.027,31.027,35.034,39.047,52.056,60]heptaconta-22(68),23,25,32,34(39),35,37,47(52),48,50,59-undecaen-45-yne-14-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: 9-(1-Cyclopentylethyl)-5,6,13,64,70-pentahydroxy-51-(hydroxymethyl)-54-(methylamino)-58-oxo-57-oxahexadecacyclo[42.20.1.112,16.116,19.122,26.141,44.155,62.01,61.04,14.05,64.07,13.027,31.027,35.034,39.047,52.056,60]heptaconta-22(68),23,25,32,34(39),35,37,47(52),48,50,59-undecaen-45-yne-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,6,13,64,70-pentahydroxy-51-(hydroxymethyl)-54-(methylamino)-58-oxo-57-oxahexadecacyclo[42.20.1.112,16.116,19.122,26.141,44.155,62.01,61.04,14.05,64.07,13.027,31.027,35.034,39.047,52.056,60]heptaconta-22(68),23,25,32,34(39),35,37,47(52),48,50,59-undecaen-45-yne-14-carbaldehyde
• 化学式: C₇₉H₉₇NO₉
• 分子量: 1204.6
• InChiKey: DMVKRWCBJVZYQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  89
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10