2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

• 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: 2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• 英文别名: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• 化学式: C₄₆H₇₆O₂₂
• 分子量: 981.1
• InChiKey: JQLBOJCNRBZPFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  68
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  346
• 氢给体数：
  13
• 氢受体数：
  22