33-Cyclopentyl-27,28,29,40,43-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-3'-pentylspiro[20-oxadecacyclo[28.12.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,43]tetratetraconta-10(15),11,13,22,35-pentaen-8-yne-41,1'-cyclopentane]-1-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: 33-Cyclopentyl-27,28,29,40,43-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-3'-pentylspiro[20-oxadecacyclo[28.12.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,43]tetratetraconta-10(15),11,13,22,35-pentaen-8-yne-41,1'-cyclopentane]-1-carbaldehyde
• 英文别名: 33-cyclopentyl-27,28,29,40,43-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-3'-pentylspiro[20-oxadecacyclo[28.12.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,43]tetratetraconta-10(15),11,13,22,35-pentaen-8-yne-41,1'-cyclopentane]-1-carbaldehyde
• 化学式: C₆₀H₈₁NO₉
• 分子量: 960.3
• InChiKey: CIZBFNCAYBDMLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10