(3aS,5bR,8R,9S,11aR,11bR,13aR,13bR)-9-[4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl]oxy-8-(hydroxymethyl)-1-isopropenyl-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-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: (3aS,5bR,8R,9S,11aR,11bR,13aR,13bR)-9-[4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl]oxy-8-(hydroxymethyl)-1-isopropenyl-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
• 英文别名: (3aS,5bR,8R,9S,11aR,11bR,13aR,13bR)-9-[4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxolan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
• 化学式: C₄₁H₆₆O₁₂
• 分子量: 751.0
• InChiKey: IPSGEHUHDIJOIT-NTHDGMCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  196
• 氢给体数：
  7
• 氢受体数：
  12