5-[4-[(3S,5S,10S,13R,17S)-17-[4,4-bis(3-carboxy-5-chloro-4-hydroxy-phenyl)but-3-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid

• 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: 5-[4-[(3S,5S,10S,13R,17S)-17-[4,4-bis(3-carboxy-5-chloro-4-hydroxy-phenyl)but-3-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid
• 英文别名: 5-[4-[(3S,5S,10S,13R,17S)-17-[4,4-bis(3-carboxy-5-chloro-4-hydroxyphenyl)but-3-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-enyl]-3-chloro-2-hydroxybenzoic acid
• 化学式: C₅₅H₅₆Cl₄O₁₂
• 分子量: 1050.8
• InChiKey: OAFFZBNOQCZTOU-AUVOUVBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.5
• 重原子数：
  71
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  230
• 氢给体数：
  8
• 氢受体数：
  12