33-Cyclopentyl-27,28,29,54-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-48-phenyl-20,41-dioxatridecacyclo[28.23.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,54.040,52.044,52.046,51]pentapentaconta-10,12,14,22,35-pentaen-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-27,28,29,54-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-48-phenyl-20,41-dioxatridecacyclo[28.23.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,54.040,52.044,52.046,51]pentapentaconta-10,12,14,22,35-pentaen-8-yne-1-carbaldehyde
• 英文别名: 33-cyclopentyl-27,28,29,54-tetrahydroxy-17-(hydroxymethylamino)-21-oxo-48-phenyl-20,41-dioxatridecacyclo[28.23.1.118,25.02,28.05,24.05,27.010,15.019,23.032,37.039,54.040,52.044,52.046,51]pentapentaconta-10,12,14,22,35-pentaen-8-yne-1-carbaldehyde
• 化学式: C₆₆H₈₁NO₉
• 分子量: 1032.3
• InChiKey: VBIIITPPCOIBOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  76
• 可旋转键数：
  5
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10