(3,4,5-Trihydroxyoxan-2-yl) 5-[3-[3,4-dihydroxy-5-(3-hydroxybutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• 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: (3,4,5-Trihydroxyoxan-2-yl) 5-[3-[3,4-dihydroxy-5-(3-hydroxybutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 英文别名: (3,4,5-trihydroxyoxan-2-yl) 5-[3-[3,4-dihydroxy-5-(3-hydroxybutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 化学式: C₅₀H₈₀O₂₁
• 分子量: 1017.2
• InChiKey: RNQBPTWEXPLWQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  71
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  342
• 氢给体数：
  12
• 氢受体数：
  21