21,65,66,68-Tetrahydroxy-34-(hydroxymethyl)-73-methyl-31-(methylamino)-27-oxo-28,86-dioxaicosacyclo[72.2.1.13,7.120,41.123,30.141,44.146,50.152,56.161,69.167,72.011,61.013,60.014,57.018,64.020,24.021,65.025,29.033,38.063,68.19,79]hexaoctaconta-3(85),4,6,25,33(38),34,36,46,48,50(81),52(80),53,55-tridecaen-16,39-diyne-63-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: 21,65,66,68-Tetrahydroxy-34-(hydroxymethyl)-73-methyl-31-(methylamino)-27-oxo-28,86-dioxaicosacyclo[72.2.1.13,7.120,41.123,30.141,44.146,50.152,56.161,69.167,72.011,61.013,60.014,57.018,64.020,24.021,65.025,29.033,38.063,68.19,79]hexaoctaconta-3(85),4,6,25,33(38),34,36,46,48,50(81),52(80),53,55-tridecaen-16,39-diyne-63-carbaldehyde
• 英文别名: 21,65,66,68-tetrahydroxy-34-(hydroxymethyl)-73-methyl-31-(methylamino)-27-oxo-28,86-dioxaicosacyclo[72.2.1.13,7.120,41.123,30.141,44.146,50.152,56.161,69.167,72.011,61.013,60.014,57.018,64.020,24.021,65.025,29.033,38.063,68.19,79]hexaoctaconta-3(85),4,6,25,33(38),34,36,46,48,50(81),52(80),53,55-tridecaen-16,39-diyne-63-carbaldehyde
• 化学式: C₈₈H₁₀₁NO₉
• 分子量: 1316.7
• InChiKey: LGUKIRMZWOXVKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  98
• 可旋转键数：
  3
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10