1-But-1-en-2-yl-5a,5b,8,11a-tetramethyl-3a-[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]oxycarbonyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-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: 1-But-1-en-2-yl-5a,5b,8,11a-tetramethyl-3a-[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]oxycarbonyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
• 英文别名: 1-but-1-en-2-yl-5a,5b,8,11a-tetramethyl-3a-[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]oxycarbonyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
• 化学式: C₄₉H₇₈O₂₀
• 分子量: 987.1
• InChiKey: YIFOLXBSBFRWMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  332
• 氢给体数：
  12
• 氢受体数：
  20