2-[4-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[18-hydroxy-4,8,8,12,18-pentamethyl-20-(2-methylprop-1-enyl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricosan-9-yl]oxy]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-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[18-hydroxy-4,8,8,12,18-pentamethyl-20-(2-methylprop-1-enyl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricosan-9-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[18-hydroxy-4,8,8,12,18-pentamethyl-20-(2-methylprop-1-enyl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricosan-9-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₂H₈₄O₂₁
• 分子量: 1045.2
• InChiKey: GFOFQZZEGDPXTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  73
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  315
• 氢给体数：
  11
• 氢受体数：
  21