25-Cyclohexyl-2,66-dihydroxy-24-(hydroxymethylidene)-9-methylspiro[29,31-diazahexadecacyclo[38.16.3.28,20.230,33.234,37.11,53.16,10.17,53.05,50.08,13.09,20.013,17.036,41.042,51.043,48.05,61]octahexaconta-6,18,30(65),33(64),34,36,38,42,44,46,48,51,54,62-tetradecaen-58-yne-16,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-21-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 25-Cyclohexyl-2,66-dihydroxy-24-(hydroxymethylidene)-9-methylspiro[29,31-diazahexadecacyclo[38.16.3.28,20.230,33.234,37.11,53.16,10.17,53.05,50.08,13.09,20.013,17.036,41.042,51.043,48.05,61]octahexaconta-6,18,30(65),33(64),34,36,38,42,44,46,48,51,54,62-tetradecaen-58-yne-16,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-21-carboxylic acid
• 英文别名: 25-cyclohexyl-2,66-dihydroxy-24-(hydroxymethylidene)-9-methylspiro[29,31-diazahexadecacyclo[38.16.3.28,20.230,33.234,37.11,53.16,10.17,53.05,50.08,13.09,20.013,17.036,41.042,51.043,48.05,61]octahexaconta-6,18,30(65),33(64),34,36,38,42,44,46,48,51,54,62-tetradecaen-58-yne-16,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-21-carboxylic acid
• 化学式: C₉₁H₁₀₂N₂O₅
• 分子量: 1303.8
• InChiKey: SWLKBDDKXHDGKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  98
• 可旋转键数：
  2
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7