6-Cyclopentyl-1,2,13,52,55-pentahydroxy-42-(hydroxymethylamino)-46-oxo-23-phenyl-45-oxatridecacyclo[26.24.1.112,16.143,50.03,13.05,10.014,53.016,20.019,24.030,49.030,52.035,40.044,48]pentapentaconta-8,35,37,39,47-pentaen-26,33-diyne-14-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: 6-Cyclopentyl-1,2,13,52,55-pentahydroxy-42-(hydroxymethylamino)-46-oxo-23-phenyl-45-oxatridecacyclo[26.24.1.112,16.143,50.03,13.05,10.014,53.016,20.019,24.030,49.030,52.035,40.044,48]pentapentaconta-8,35,37,39,47-pentaen-26,33-diyne-14-carbaldehyde
• 英文别名: 6-cyclopentyl-1,2,13,52,55-pentahydroxy-42-(hydroxymethylamino)-46-oxo-23-phenyl-45-oxatridecacyclo[26.24.1.112,16.143,50.03,13.05,10.014,53.016,20.019,24.030,49.030,52.035,40.044,48]pentapentaconta-8,35,37,39,47-pentaen-26,33-diyne-14-carbaldehyde
• 化学式: C₆₇H₇₉NO₉
• 分子量: 1042.3
• InChiKey: XXYTVTREJRWFQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  77
• 可旋转键数：
  5
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10