[(2R,3S,4S,5R,6R)-6-[[(1S,20R,21S,22S,23R,43R,44S,45S,46R)-21,22,23,44,45,46-hexahydroxy-3,26-bis(6-hydroxyheptyl)-17,40-dioxo-38-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,25,41,47,48-hexaoxatricyclo[41.3.1.120,24]octatetracontan-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 23-hydroxy-3,17-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]tetracosanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [(2R,3S,4S,5R,6R)-6-[[(1S,20R,21S,22S,23R,43R,44S,45S,46R)-21,22,23,44,45,46-hexahydroxy-3,26-bis(6-hydroxyheptyl)-17,40-dioxo-38-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,25,41,47,48-hexaoxatricyclo[41.3.1.120,24]octatetracontan-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 23-hydroxy-3,17-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]tetracosanoate
• 化学式: C₁₀₄H₁₉₀O₄₂
• 分子量: 2112.6
• InChiKey: IRGFQIKHGZEGDT-DRSYKHPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  146
• 可旋转键数：
  48
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  675
• 氢给体数：
  24
• 氢受体数：
  42