5-(1-Cyclopentylethyl)-1,2,9,52-tetrahydroxy-39-(hydroxymethyl)-42-(methylamino)-46-oxo-23-phenyl-14,45-dioxatridecacyclo[26.24.1.143,50.03,9.08,13.010,53.012,17.012,20.019,24.030,49.030,52.035,40.044,48]tetrapentaconta-35(40),36,38,47-tetraen-26,33-diyne-10-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: 5-(1-Cyclopentylethyl)-1,2,9,52-tetrahydroxy-39-(hydroxymethyl)-42-(methylamino)-46-oxo-23-phenyl-14,45-dioxatridecacyclo[26.24.1.143,50.03,9.08,13.010,53.012,17.012,20.019,24.030,49.030,52.035,40.044,48]tetrapentaconta-35(40),36,38,47-tetraen-26,33-diyne-10-carbaldehyde
• 英文别名: 5-(1-cyclopentylethyl)-1,2,9,52-tetrahydroxy-39-(hydroxymethyl)-42-(methylamino)-46-oxo-23-phenyl-14,45-dioxatridecacyclo[26.24.1.143,50.03,9.08,13.010,53.012,17.012,20.019,24.030,49.030,52.035,40.044,48]tetrapentaconta-35(40),36,38,47-tetraen-26,33-diyne-10-carbaldehyde
• 化学式: C₆₈H₈₃NO₉
• 分子量: 1058.4
• InChiKey: VTTLVMPDGZTSFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  78
• 可旋转键数：
  6
• 环数：
  16.0
• 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