2-(Hydroxymethyl)-6-[[14-hydroxy-7,12,16-trimethyl-15-[6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]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-[[14-hydroxy-7,12,16-trimethyl-15-[6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methoxy]oxane-3,4,5-triol
• 英文别名: 2-(hydroxymethyl)-6-[[14-hydroxy-7,12,16-trimethyl-15-[6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methoxy]oxane-3,4,5-triol
• 化学式: C₄₈H₈₀O₁₉
• 分子量: 961.1
• InChiKey: BQJDMSODAPAEBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  67
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  318
• 氢给体数：
  13
• 氢受体数：
  19