33-Cyclopentyl-27,28,29,40,52-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatetradecacyclo[28.21.1.118,25.141,44.02,28.03,49.05,24.05,27.010,15.019,23.032,37.039,52.041,51.046,50]tetrapentaconta-10(15),11,13,22,35,46(50),48-heptaen-8-yne-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-27,28,29,40,52-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatetradecacyclo[28.21.1.118,25.141,44.02,28.03,49.05,24.05,27.010,15.019,23.032,37.039,52.041,51.046,50]tetrapentaconta-10(15),11,13,22,35,46(50),48-heptaen-8-yne-1-carbaldehyde
• 英文别名: 33-cyclopentyl-27,28,29,40,52-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxatetradecacyclo[28.21.1.118,25.141,44.02,28.03,49.05,24.05,27.010,15.019,23.032,37.039,52.041,51.046,50]tetrapentaconta-10(15),11,13,22,35,46(50),48-heptaen-8-yne-1-carbaldehyde
• 化学式: C₆₁H₇₃NO₉
• 分子量: 964.2
• InChiKey: DYVOSNIYTFXJHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  71
• 可旋转键数：
  4
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10