28-Cyclohexyl-48,69-dihydroxy-27-(hydroxymethylidene)spiro[32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne-19,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-24-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: 28-Cyclohexyl-48,69-dihydroxy-27-(hydroxymethylidene)spiro[32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne-19,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-24-carboxylic acid
• 英文别名: 28-cyclohexyl-48,69-dihydroxy-27-(hydroxymethylidene)spiro[32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne-19,9'-5,6,6a,7,7a,8,10,10a,11,11a-decahydrocyclopenta[b]phenanthrene]-24-carboxylic acid
• 化学式: C₉₁H₁₀₂N₂O₅
• 分子量: 1303.8
• InChiKey: DKUMENKWGYZDCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 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