2-[4-Hydroxy-3-[12-hydroxy-4,8,12-trimethyl-11-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]-3,4-dimethyl-2-[3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]cyclohexylidene]propanal

• 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-Hydroxy-3-[12-hydroxy-4,8,12-trimethyl-11-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]-3,4-dimethyl-2-[3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]cyclohexylidene]propanal
• 英文别名: 2-[4-hydroxy-3-[12-hydroxy-4,8,12-trimethyl-11-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]-3,4-dimethyl-2-[3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]cyclohexylidene]propanal
• 化学式: C₄₈H₈₀O₂₁
• 分子量: 993.1
• InChiKey: OYGLQWCXIATPGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  69
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  353
• 氢给体数：
  13
• 氢受体数：
  21