31-(1-Cyclopentylethyl)-27,34,35,40,62-pentahydroxy-53-(hydroxymethyl)-50-(methylamino)-46-oxo-47-oxapentadecacyclo[37.20.1.11,4.13,8.114,18.121,24.124,28.142,49.07,12.026,36.027,33.035,40.039,43.044,48.052,57]hexahexaconta-7(12),8,10,14,16,18(64),44,52(57),53,55-decaen-58-yne-26-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: 31-(1-Cyclopentylethyl)-27,34,35,40,62-pentahydroxy-53-(hydroxymethyl)-50-(methylamino)-46-oxo-47-oxapentadecacyclo[37.20.1.11,4.13,8.114,18.121,24.124,28.142,49.07,12.026,36.027,33.035,40.039,43.044,48.052,57]hexahexaconta-7(12),8,10,14,16,18(64),44,52(57),53,55-decaen-58-yne-26-carbaldehyde
• 英文别名: 31-(1-cyclopentylethyl)-27,34,35,40,62-pentahydroxy-53-(hydroxymethyl)-50-(methylamino)-46-oxo-47-oxapentadecacyclo[37.20.1.11,4.13,8.114,18.121,24.124,28.142,49.07,12.026,36.027,33.035,40.039,43.044,48.052,57]hexahexaconta-7(12),8,10,14,16,18(64),44,52(57),53,55-decaen-58-yne-26-carbaldehyde
• 化学式: C₇₅H₉₃NO₉
• 分子量: 1152.5
• InChiKey: IDXTWYWTJJNBBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  85
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10