6-[6-Carboxy-5-hydroxy-2-[(4,4,10,13-tetramethyl-17-propan-2-yl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic 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: 6-[6-Carboxy-5-hydroxy-2-[(4,4,10,13-tetramethyl-17-propan-2-yl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 英文别名: 6-[6-carboxy-5-hydroxy-2-[(4,4,10,13-tetramethyl-17-propan-2-yl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)oxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
• 化学式: C₄₇H₇₄O₂₁
• 分子量: 975.1
• InChiKey: OUJWBJHRVLRLAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  68
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  331
• 氢给体数：
  11
• 氢受体数：
  21