[(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-11-hydroxy-17-[(1R)-3-[2-(1-hydroxy-1-methyl-ethyl)oxiran-2-yl]-1-methyl-propyl]-4,4,10,13-tetramethyl-3-sulfooxy-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 16-hydroxyhexadecanoate

• 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: [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-11-hydroxy-17-[(1R)-3-[2-(1-hydroxy-1-methyl-ethyl)oxiran-2-yl]-1-methyl-propyl]-4,4,10,13-tetramethyl-3-sulfooxy-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 16-hydroxyhexadecanoate
• 英文别名: [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetyloxy-11-hydroxy-17-[(2R)-4-[2-(2-hydroxypropan-2-yl)oxiran-2-yl]butan-2-yl]-4,4,10,13-tetramethyl-3-sulfooxy-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 16-hydroxyhexadecanoate
• 化学式: C₄₈H₈₂O₁₂S
• 分子量: 883.2
• InChiKey: NUOVIAPJOSFRAJ-FRCVJQAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  61
• 可旋转键数：
  26
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  198
• 氢给体数：
  4
• 氢受体数：
  12