2-[4,5-Dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-[[15-[4-hydroxy-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[4,5-Dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-[[15-[4-hydroxy-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-[[15-[4-hydroxy-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₄₉H₈₀O₁₈
• 分子量: 957.1
• InChiKey: PGTGMIIBBUSWBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  67
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  276
• 氢给体数：
  10
• 氢受体数：
  18