[3,5-Dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 10-[6-[2,5-dihydroxy-6-methyl-4-[[3,4,5-trihydroxy-6-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-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: [3,5-Dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 10-[6-[2,5-dihydroxy-6-methyl-4-[[3,4,5-trihydroxy-6-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-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: [3,5-dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 10-[6-[2,5-dihydroxy-6-methyl-4-[[3,4,5-trihydroxy-6-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-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: C₇₁H₁₁₆O₃₅
• 分子量: 1529.7
• InChiKey: GWZGBPYJCRGPKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  106
• 可旋转键数：
  18
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  562
• 氢给体数：
  21
• 氢受体数：
  35