2-Methyl-6-[[3,4,5-trihydroxy-6-[2-[12-hydroxy-4,4,8,14-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-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-Methyl-6-[[3,4,5-trihydroxy-6-[2-[12-hydroxy-4,4,8,14-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• 英文别名: 2-methyl-6-[[3,4,5-trihydroxy-6-[2-[12-hydroxy-4,4,8,14-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• 化学式: C₄₇H₈₀O₁₇
• 分子量: 917.1
• InChiKey: NYWYXGQOIGCXCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  64
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  278
• 氢给体数：
  11
• 氢受体数：
  17