7,11',16',16',17',20'-Hexahydroxy-14'-(hydroxymethyl)-28'-(3-methoxypropoxy)-17',19',31'-trimethylspiro[1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalene-2,37'-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]-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: 7,11',16',16',17',20'-Hexahydroxy-14'-(hydroxymethyl)-28'-(3-methoxypropoxy)-17',19',31'-trimethylspiro[1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalene-2,37'-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]-8',25'-dione
• 英文别名: 7,11',16',16',17',20'-hexahydroxy-14'-(hydroxymethyl)-28'-(3-methoxypropoxy)-17',19',31'-trimethylspiro[1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalene-2,37'-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]-8',25'-dione
• 化学式: C₅₄H₇₂N₂O₁₂
• 分子量: 941.2
• InChiKey: VJXSTPWNRZMAGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  68
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  219
• 氢给体数：
  8
• 氢受体数：
  13