9-(1-Cyclopentylethyl)-5,6,13,59,66-pentahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxospiro[52-oxapentadecacyclo[37.20.1.112,16.119,23.124,28.130,34.136,39.150,57.01,56.04,14.05,59.07,13.016,20.042,47.051,55]hexahexaconta-24(64),25,27,30,32,34(63),42(47),43,45,54-decaen-40-yne-29,1'-cyclohexane]-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)-5,6,13,59,66-pentahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxospiro[52-oxapentadecacyclo[37.20.1.112,16.119,23.124,28.130,34.136,39.150,57.01,56.04,14.05,59.07,13.016,20.042,47.051,55]hexahexaconta-24(64),25,27,30,32,34(63),42(47),43,45,54-decaen-40-yne-29,1'-cyclohexane]-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,6,13,59,66-pentahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxospiro[52-oxapentadecacyclo[37.20.1.112,16.119,23.124,28.130,34.136,39.150,57.01,56.04,14.05,59.07,13.016,20.042,47.051,55]hexahexaconta-24(64),25,27,30,32,34(63),42(47),43,45,54-decaen-40-yne-29,1'-cyclohexane]-14-carbaldehyde
• 化学式: C₈₀H₁₀₁NO₉
• 分子量: 1220.7
• InChiKey: NNBMFDXTZSOVCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  90
• 可旋转键数：
  5
• 环数：
  20.0
• 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