3-[4-[4-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(4,8-dimethylnona-1,3,7-trienyl)-2,6-dimethylcyclohexen-1-yl]-3-hydroxypropanoic acid

• 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: 3-[4-[4-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(4,8-dimethylnona-1,3,7-trienyl)-2,6-dimethylcyclohexen-1-yl]-3-hydroxypropanoic acid
• 英文别名: 3-[4-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(4,8-dimethylnona-1,3,7-trienyl)-2,6-dimethylcyclohexen-1-yl]-3-hydroxypropanoic acid
• 化学式: C₅₀H₈₀O₂₇
• 分子量: 1113.2
• InChiKey: IJUXMDQTKZIVPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  77
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  433
• 氢给体数：
  16
• 氢受体数：
  27