11,16,16,17,20-Pentahydroxy-3'-[3-hydroxy-2-(3-hydroxypropyl)phenyl]-14-(hydroxymethyl)-28-(3-methoxypropoxy)-17,19,31-trimethylspiro[36-oxa-7,10-diazanonacyclo[17.12.2.11,24.19,13.112,15.118,21.05,7.026,31.020,34]heptatriacont-24(34)-en-2-yne-37,1'-cyclopentane]-8,25-dione

• 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: 11,16,16,17,20-Pentahydroxy-3'-[3-hydroxy-2-(3-hydroxypropyl)phenyl]-14-(hydroxymethyl)-28-(3-methoxypropoxy)-17,19,31-trimethylspiro[36-oxa-7,10-diazanonacyclo[17.12.2.11,24.19,13.112,15.118,21.05,7.026,31.020,34]heptatriacont-24(34)-en-2-yne-37,1'-cyclopentane]-8,25-dione
• 英文别名: 11,16,16,17,20-pentahydroxy-3'-[3-hydroxy-2-(3-hydroxypropyl)phenyl]-14-(hydroxymethyl)-28-(3-methoxypropoxy)-17,19,31-trimethylspiro[36-oxa-7,10-diazanonacyclo[17.12.2.11,24.19,13.112,15.118,21.05,7.026,31.020,34]heptatriacont-24(34)-en-2-yne-37,1'-cyclopentane]-8,25-dione
• 化学式: C₅₅H₇₆N₂O₁₃
• 分子量: 973.2
• InChiKey: SBMLPAAMTQCGBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  70
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  239
• 氢给体数：
  9
• 氢受体数：
  14