[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate | 17575-21-2

• 物质功能分类: 生物化工 - 提取物 - 植物提取物
• 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: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
• CAS: 17575-21-2
• 化学式: C₄₉H₇₆O₂₀
• 分子量: 985.1
• InChiKey: XVAPNQFQPDAROQ-IVKIZQIVSA-N

物化性质

• 熔点：
  245-248°C
• 比旋光度：
  D20 +36.7° (0.47 g in 25 ml 95% alc); D20 +31.8° (0.25 g in 14.1 ml dioxane)
• 沸点：
  741.7°C (rough estimate)
• 密度：
  1.1256 (rough estimate)
• LogP：
  -0.250 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  288
• 氢给体数：
  8
• 氢受体数：
  20