3-[7,8,18,26,27,33,53,54-Octahydroxy-28-(hydroxymethyl)-13,18,35,39,46,46,51,52,52-nonamethyl-2,16,20,21-tetraoxo-3,5,10,12,15,24,31-heptaoxa-23-azanonacyclo[37.9.3.211,14.132,36.01,44.04,9.025,30.035,40.043,51]tetrapentacont-42-en-22-yl]propanoic 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: 3-[7,8,18,26,27,33,53,54-Octahydroxy-28-(hydroxymethyl)-13,18,35,39,46,46,51,52,52-nonamethyl-2,16,20,21-tetraoxo-3,5,10,12,15,24,31-heptaoxa-23-azanonacyclo[37.9.3.211,14.132,36.01,44.04,9.025,30.035,40.043,51]tetrapentacont-42-en-22-yl]propanoic acid
• 英文别名: 3-[7,8,18,26,27,33,53,54-octahydroxy-28-(hydroxymethyl)-13,18,35,39,46,46,51,52,52-nonamethyl-2,16,20,21-tetraoxo-3,5,10,12,15,24,31-heptaoxa-23-azanonacyclo[37.9.3.211,14.132,36.01,44.04,9.025,30.035,40.043,51]tetrapentacont-42-en-22-yl]propanoic acid
• 化学式: C₅₉H₉₁NO₂₂
• 分子量: 1166.3
• InChiKey: URBHKTLHVWBTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  82
• 可旋转键数：
  4
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  364
• 氢给体数：
  11
• 氢受体数：
  23