6-[[8a-[4-Acetyloxy-3-(3-acetyloxy-4,5,6-trihydroxyoxan-2-yl)oxy-5-[5-[2,4-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic 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: 6-[[8a-[4-Acetyloxy-3-(3-acetyloxy-4,5,6-trihydroxyoxan-2-yl)oxy-5-[5-[2,4-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
• 英文别名: 6-[[8a-[4-acetyloxy-3-(3-acetyloxy-4,5,6-trihydroxyoxan-2-yl)oxy-5-[5-[2,4-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
• 化学式: C₇₉H₁₂₂O₄₂
• 分子量: 1743.8
• InChiKey: PTPJOIZEEAUHTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  121
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  647
• 氢给体数：
  20
• 氢受体数：
  42