Methyl 6-hydroxy-7-[2-[3-[[6-hydroxy-4-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl]methoxycarbonyl]-2,4-bis(4-hydroxyphenyl)cyclobutyl]oxy-2-oxoethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

• 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: Methyl 6-hydroxy-7-[2-[3-[[6-hydroxy-4-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl]methoxycarbonyl]-2,4-bis(4-hydroxyphenyl)cyclobutyl]oxy-2-oxoethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
• 英文别名: methyl 6-hydroxy-7-[2-[3-[[6-hydroxy-4-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl]methoxycarbonyl]-2,4-bis(4-hydroxyphenyl)cyclobutyl]oxy-2-oxoethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
• 化学式: C₅₂H₆₄O₂₆
• 分子量: 1105.0
• InChiKey: RFTDRXLINPPTQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  78
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  403
• 氢给体数：
  12
• 氢受体数：
  26