11-Cyclopentyl-4,15,16,17,68-pentahydroxy-30-(hydroxymethyl)-27-(methylamino)-23-oxo-24-oxaheptadecacyclo[35.27.3.13,57.15,57.119,26.137,40.142,46.148,52.02,16.04,14.07,12.017,66.020,66.021,25.029,34.053,61.056,60]triheptaconta-8,21,29(34),30,32,42,44,46(71),48(70),49,51-undecaen-35,63-diyne-3-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: 11-Cyclopentyl-4,15,16,17,68-pentahydroxy-30-(hydroxymethyl)-27-(methylamino)-23-oxo-24-oxaheptadecacyclo[35.27.3.13,57.15,57.119,26.137,40.142,46.148,52.02,16.04,14.07,12.017,66.020,66.021,25.029,34.053,61.056,60]triheptaconta-8,21,29(34),30,32,42,44,46(71),48(70),49,51-undecaen-35,63-diyne-3-carbaldehyde
• 英文别名: 11-cyclopentyl-4,15,16,17,68-pentahydroxy-30-(hydroxymethyl)-27-(methylamino)-23-oxo-24-oxaheptadecacyclo[35.27.3.13,57.15,57.119,26.137,40.142,46.148,52.02,16.04,14.07,12.017,66.020,66.021,25.029,34.053,61.056,60]triheptaconta-8,21,29(34),30,32,42,44,46(71),48(70),49,51-undecaen-35,63-diyne-3-carbaldehyde
• 化学式: C₈₀H₉₃NO₉
• 分子量: 1212.6
• InChiKey: MDSIEJHPBFVDRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  90
• 可旋转键数：
  4
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10