32-(1-Cyclopentylethyl)-27,28,29,46-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-42-(2-phenylethyl)-20,37-dioxaundecacyclo[28.15.1.118,25.02,28.05,24.05,27.010,15.019,23.035,46.036,44.040,44]heptatetraconta-10,12,14,22-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)-27,28,29,46-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-42-(2-phenylethyl)-20,37-dioxaundecacyclo[28.15.1.118,25.02,28.05,24.05,27.010,15.019,23.035,46.036,44.040,44]heptatetraconta-10,12,14,22-tetraen-8-yne-1-carbaldehyde
• 英文别名: 32-(1-cyclopentylethyl)-27,28,29,46-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-42-(2-phenylethyl)-20,37-dioxaundecacyclo[28.15.1.118,25.02,28.05,24.05,27.010,15.019,23.035,46.036,44.040,44]heptatetraconta-10,12,14,22-tetraen-8-yne-1-carbaldehyde
• 化学式: C₆₂H₇₉NO₉
• 分子量: 982.3
• InChiKey: LEQXWBJXIRDZTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  72
• 可旋转键数：
  8
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10