11,13,14,19-Tetrahydroxy-32-(hydroxymethyl)-2-methyl-29-(methylamino)-25-oxo-26,78-dioxaicosacyclo[71.2.1.13,12.17,65.118,39.121,28.139,42.141,46.152,56.157,61.167,71.06,11.08,60.08,63.010,15.014,19.018,22.023,27.031,36.045,50]pentaoctaconta-23,31(36),32,34,45(50),46,48,52(80),53,55,67,69,71(77)-tridecaen-37-yne-10-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: 11,13,14,19-Tetrahydroxy-32-(hydroxymethyl)-2-methyl-29-(methylamino)-25-oxo-26,78-dioxaicosacyclo[71.2.1.13,12.17,65.118,39.121,28.139,42.141,46.152,56.157,61.167,71.06,11.08,60.08,63.010,15.014,19.018,22.023,27.031,36.045,50]pentaoctaconta-23,31(36),32,34,45(50),46,48,52(80),53,55,67,69,71(77)-tridecaen-37-yne-10-carbaldehyde
• 英文别名: 11,13,14,19-tetrahydroxy-32-(hydroxymethyl)-2-methyl-29-(methylamino)-25-oxo-26,78-dioxaicosacyclo[71.2.1.13,12.17,65.118,39.121,28.139,42.141,46.152,56.157,61.167,71.06,11.08,60.08,63.010,15.014,19.018,22.023,27.031,36.045,50]pentaoctaconta-23,31(36),32,34,45(50),46,48,52(80),53,55,67,69,71(77)-tridecaen-37-yne-10-carbaldehyde
• 化学式: C₈₇H₁₀₃NO₉
• 分子量: 1306.7
• InChiKey: RUIOYAZDKQIHQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  97
• 可旋转键数：
  3
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10