5-[2-[9-(5-Hydroxy-3,3-dimethyl-5-oxo-pentanoyl)oxy-3a-[(5-hydroxy-3,3-dimethyl-5-oxo-pentanoyl)oxymethyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]allyloxy]-3,3-dimethyl-5-oxo-pentanoic 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: 5-[2-[9-(5-Hydroxy-3,3-dimethyl-5-oxo-pentanoyl)oxy-3a-[(5-hydroxy-3,3-dimethyl-5-oxo-pentanoyl)oxymethyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]allyloxy]-3,3-dimethyl-5-oxo-pentanoic acid
• 英文别名: 5-[2-[9-(4-carboxy-3,3-dimethylbutanoyl)oxy-3a-[(4-carboxy-3,3-dimethylbutanoyl)oxymethyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]prop-2-enoxy]-3,3-dimethyl-5-oxopentanoic acid
• 化学式: C₅₁H₈₀O₁₂
• 分子量: 885.2
• InChiKey: FYTMAXUJTXOSKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  63
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  191
• 氢给体数：
  3
• 氢受体数：
  12