32-(1-Cyclopentylethyl)-27,28,50-trihydroxy-14,24-bis(hydroxymethyl)-17-(methylamino)-21-oxo-44-phenyl-20,37-dioxadodecacyclo[28.19.1.118,25.02,28.05,24.05,27.010,15.019,23.035,50.036,48.040,48.042,47]henpentaconta-10(15),11,13,22-tetraen-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: 32-(1-Cyclopentylethyl)-27,28,50-trihydroxy-14,24-bis(hydroxymethyl)-17-(methylamino)-21-oxo-44-phenyl-20,37-dioxadodecacyclo[28.19.1.118,25.02,28.05,24.05,27.010,15.019,23.035,50.036,48.040,48.042,47]henpentaconta-10(15),11,13,22-tetraen-8-yne-1-carbaldehyde
• 英文别名: 32-(1-cyclopentylethyl)-27,28,50-trihydroxy-14,24-bis(hydroxymethyl)-17-(methylamino)-21-oxo-44-phenyl-20,37-dioxadodecacyclo[28.19.1.118,25.02,28.05,24.05,27.010,15.019,23.035,50.036,48.040,48.042,47]henpentaconta-10(15),11,13,22-tetraen-8-yne-1-carbaldehyde
• 化学式: C₆₆H₈₅NO₉
• 分子量: 1036.4
• InChiKey: CIDTXCLSJFSHKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  76
• 可旋转键数：
  7
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10