16-Hydroxy-hexadecanoic acid 12-acetoxy-11-hydroxy-17-{3-[2-(1-hydroxy-isopropyl)-oxiranyl]-1-methyl-propyl}-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 16-Hydroxy-hexadecanoic acid 12-acetoxy-11-hydroxy-17-{3-[2-(1-hydroxy-isopropyl)-oxiranyl]-1-methyl-propyl}-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl ester
• 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-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-2-yl] 16-hydroxyhexadecanoate
• 化学式: C₄₈H₈₀O₁₂S
• 分子量: 881.2
• InChiKey: LGHUFCYDBTXXCS-UHODCKRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  61
• 可旋转键数：
  26
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  198
• 氢给体数：
  4
• 氢受体数：
  12