55-Cyclopentyl-4,48,59,60,65-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxahexadecacyclo[39.20.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,60.08,12.016,21.047,61.048,58.051,56]henheptaconta-8,16(21),17,19,29,31,33(68),35(67),36,38,52-undecaen-22,62-diyne-47-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: 55-Cyclopentyl-4,48,59,60,65-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxahexadecacyclo[39.20.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,60.08,12.016,21.047,61.048,58.051,56]henheptaconta-8,16(21),17,19,29,31,33(68),35(67),36,38,52-undecaen-22,62-diyne-47-carbaldehyde
• 英文别名: 55-cyclopentyl-4,48,59,60,65-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxahexadecacyclo[39.20.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,60.08,12.016,21.047,61.048,58.051,56]henheptaconta-8,16(21),17,19,29,31,33(68),35(67),36,38,52-undecaen-22,62-diyne-47-carbaldehyde
• 化学式: C₇₈H₉₁NO₉
• 分子量: 1186.6
• InChiKey: MSHCHMPHACGKGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  88
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10