9-(1-Cyclopentylethyl)-5,13,61-trihydroxy-48-(hydroxymethyl)-51-(methylamino)-55-oxo-18,54-dioxapentadecacyclo[39.20.1.116,23.126,30.132,36.138,41.152,59.01,58.04,14.05,61.07,13.012,17.016,21.044,49.053,57]heptahexaconta-26(66),27,29,32(65),33,35,44(49),45,47,56-decaen-42-yne-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: 9-(1-Cyclopentylethyl)-5,13,61-trihydroxy-48-(hydroxymethyl)-51-(methylamino)-55-oxo-18,54-dioxapentadecacyclo[39.20.1.116,23.126,30.132,36.138,41.152,59.01,58.04,14.05,61.07,13.012,17.016,21.044,49.053,57]heptahexaconta-26(66),27,29,32(65),33,35,44(49),45,47,56-decaen-42-yne-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,13,61-trihydroxy-48-(hydroxymethyl)-51-(methylamino)-55-oxo-18,54-dioxapentadecacyclo[39.20.1.116,23.126,30.132,36.138,41.152,59.01,58.04,14.05,61.07,13.012,17.016,21.044,49.053,57]heptahexaconta-26(66),27,29,32(65),33,35,44(49),45,47,56-decaen-42-yne-14-carbaldehyde
• 化学式: C₇₅H₉₃NO₈
• 分子量: 1136.5
• InChiKey: YGKWAFYJMRXCQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  84
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9