9-(1-Cyclopentylethyl)-5,6,13,57,64-pentahydroxy-44-(hydroxymethyl)-47-(methylamino)-51-oxo-50-oxatetradecacyclo[35.20.1.112,16.116,19.122,26.128,32.134,37.148,55.01,54.04,14.05,57.07,13.040,45.049,53]tetrahexaconta-22(62),23,25,28(61),29,31,40(45),41,43,52-decaen-38-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)-5,6,13,57,64-pentahydroxy-44-(hydroxymethyl)-47-(methylamino)-51-oxo-50-oxatetradecacyclo[35.20.1.112,16.116,19.122,26.128,32.134,37.148,55.01,54.04,14.05,57.07,13.040,45.049,53]tetrahexaconta-22(62),23,25,28(61),29,31,40(45),41,43,52-decaen-38-yne-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,6,13,57,64-pentahydroxy-44-(hydroxymethyl)-47-(methylamino)-51-oxo-50-oxatetradecacyclo[35.20.1.112,16.116,19.122,26.128,32.134,37.148,55.01,54.04,14.05,57.07,13.040,45.049,53]tetrahexaconta-22(62),23,25,28(61),29,31,40(45),41,43,52-decaen-38-yne-14-carbaldehyde
• 化学式: C₇₃H₉₁NO₉
• 分子量: 1126.5
• InChiKey: SIGKWQBMSTXLAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  83
• 可旋转键数：
  5
• 环数：
  17.0
• 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