药喇叭(IPOMOEAPURGA)树脂 | 9000-35-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 中文名称: 药喇叭(IPOMOEAPURGA)树脂
• 英文名称: Exogenium purga resin
• 英文别名: [(2R,3R,4R,5S,6S)-6-[(2R,3R,4R,5R,6S)-5-dodecanoyloxy-3-[(2S,3R,4R,5R,6R)-4-hydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxy-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5R,6R,7R,8R,22R,24R,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (11S)-11-[(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-dodecanoyloxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxy-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-4-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
• CAS: 9000-35-5
• 化学式: C₁₄₄H₂₃₂O₅₂
• 分子量: 2795.3
• InChiKey: FQYZTZXSIFWAPT-LSNGAHAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.2
• 重原子数：
  196
• 可旋转键数：
  78
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  719
• 氢给体数：
  16
• 氢受体数：
  52