45-(1-Cyclopentylethyl)-1,2,41,50-tetrahydroxy-5,15-bis(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenyl-9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-40-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: 45-(1-Cyclopentylethyl)-1,2,41,50-tetrahydroxy-5,15-bis(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenyl-9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-40-carbaldehyde
• 英文别名: 45-(1-cyclopentylethyl)-1,2,41,50-tetrahydroxy-5,15-bis(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenyl-9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-40-carbaldehyde
• 化学式: C₆₇H₈₃NO₉
• 分子量: 1046.4
• InChiKey: YQLDDEKXMTYROW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  77
• 可旋转键数：
  7
• 环数：
  14.0
• 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