9-(1-Cyclopentylethyl)-5,13,59,66-tetrahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxo-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-24,26,28(64),30(63),31,33,42(47),43,45,54-decaen-40-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)-5,13,59,66-tetrahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxo-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-24,26,28(64),30(63),31,33,42(47),43,45,54-decaen-40-yne-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,13,59,66-tetrahydroxy-46-(hydroxymethyl)-49-(methylamino)-53-oxo-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-24,26,28(64),30(63),31,33,42(47),43,45,54-decaen-40-yne-14-carbaldehyde
• 化学式: C₇₅H₉₃NO₈
• 分子量: 1136.5
• InChiKey: BHROUCFDQXDPLC-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：
  19.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9