2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-8-(5-hydroxy-4-methylpent-3-en-1-yl)-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-dodecahydro-2H-chrysen-1-yl)methoxy]-6-(hydroxymethyl)oxane-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-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-8-(5-hydroxy-4-methylpent-3-en-1-yl)-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-dodecahydro-2H-chrysen-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7-hydroxy-8-(hydroxymethyl)-8-(5-hydroxy-4-methylpent-3-enyl)-1,4a,10a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₇H₈₀O₁₉
• 分子量: 949.1
• InChiKey: AJUACYVEKRAXEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  66
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  318
• 氢给体数：
  13
• 氢受体数：
  19