2-[1-[2-[2-[9-[2-[1-(Carboxymethyl)cyclopentyl]acetyl]oxy-3a-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]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]-2-oxo-ethyl]cyclopentyl]acetic 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: 2-[1-[2-[2-[9-[2-[1-(Carboxymethyl)cyclopentyl]acetyl]oxy-3a-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]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]-2-oxo-ethyl]cyclopentyl]acetic acid
• 英文别名: 2-[1-[2-[2-[9-[2-[1-(carboxymethyl)cyclopentyl]acetyl]oxy-3a-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]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]-2-oxoethyl]cyclopentyl]acetic acid
• 化学式: C₅₇H₈₆O₁₂
• 分子量: 963.3
• InChiKey: ANHLKURSPHFUIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  69
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  191
• 氢给体数：
  3
• 氢受体数：
  12