[2,3,4,5-Tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 10-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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: [2,3,4,5-Tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 10-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 英文别名: [2,3,4,5-tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 10-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2-[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 化学式: C₇₁H₁₁₆O₄₂
• 分子量: 1641.7
• InChiKey: UJNVAZZJPGEGAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.9
• 重原子数：
  113
• 可旋转键数：
  20
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  693
• 氢给体数：
  27
• 氢受体数：
  42