Methyl 3,4-dihydroxy-6-[[16-hydroxy-10,13-dimethyl-17-(6-methyl-5-methylidene-4-oxoheptan-2-yl)-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

• 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: Methyl 3,4-dihydroxy-6-[[16-hydroxy-10,13-dimethyl-17-(6-methyl-5-methylidene-4-oxoheptan-2-yl)-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
• 英文别名: methyl 3,4-dihydroxy-6-[[16-hydroxy-10,13-dimethyl-17-(6-methyl-5-methylidene-4-oxoheptan-2-yl)-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
• 化学式: C₄₁H₆₂O₁₅
• 分子量: 794.9
• InChiKey: USPOONQXJWBLPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  239
• 氢给体数：
  7
• 氢受体数：
  15