29,30,31,55-Tetrahydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-66-phenyl-22,52-dioxaoctadecacyclo[57.7.2.15,56.120,27.135,54.140,43.145,49.07,26.07,29.012,17.021,25.032,55.034,39.051,60.053,58.058,63.063,67.030,69]triheptaconta-12(17),13,15,24,36,45(71),46,48-octaen-3,10-diyne-56-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: 29,30,31,55-Tetrahydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-66-phenyl-22,52-dioxaoctadecacyclo[57.7.2.15,56.120,27.135,54.140,43.145,49.07,26.07,29.012,17.021,25.032,55.034,39.051,60.053,58.058,63.063,67.030,69]triheptaconta-12(17),13,15,24,36,45(71),46,48-octaen-3,10-diyne-56-carbaldehyde
• 英文别名: 29,30,31,55-tetrahydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-66-phenyl-22,52-dioxaoctadecacyclo[57.7.2.15,56.120,27.135,54.140,43.145,49.07,26.07,29.012,17.021,25.032,55.034,39.051,60.053,58.058,63.063,67.030,69]triheptaconta-12(17),13,15,24,36,45(71),46,48-octaen-3,10-diyne-56-carbaldehyde
• 化学式: C₈₀H₉₁NO₉
• 分子量: 1210.6
• InChiKey: IZOQEEFHIDIDNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  90
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10