(3'S,5R,5'R,8S,9S,10R,11S,12R,14R,26R,30S,33R,34R,35S)-33-[(1R)-1,3-dihydroxy-3-methylbutyl]-3',8,10,33-tetrahydroxy-5'-(hydroxymethyl)-5,5',9,11,26,34-hexamethylspiro[13,32-dioxa-2,23-diazaundecacyclo[22.19.0.03,22.05,20.06,17.09,16.010,14.026,42.027,39.030,35.030,38]tritetraconta-1,3(22),15,23,37-pentaene-12,2'-oxolane]-29-one

• 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: (3'S,5R,5'R,8S,9S,10R,11S,12R,14R,26R,30S,33R,34R,35S)-33-[(1R)-1,3-dihydroxy-3-methylbutyl]-3',8,10,33-tetrahydroxy-5'-(hydroxymethyl)-5,5',9,11,26,34-hexamethylspiro[13,32-dioxa-2,23-diazaundecacyclo[22.19.0.03,22.05,20.06,17.09,16.010,14.026,42.027,39.030,35.030,38]tritetraconta-1,3(22),15,23,37-pentaene-12,2'-oxolane]-29-one
• 化学式: C₅₄H₇₆N₂O₁₁
• 分子量: 929.2
• InChiKey: XLBCKHQLKVRGAX-RIAOOMHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  67
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  212
• 氢给体数：
  7
• 氢受体数：
  13