(2S,3S)-2-[(2S,4R,5R)-4-[(2S,4R,5R)-4-[(2S,5R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-6-[(2S,5S)-5-hydroxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S)-2-[(2S,4R,5R)-4-[(2S,4R,5R)-4-[(2S,5R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-6-[(2S,5S)-5-hydroxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
• 化学式: C₄₆H₆₆O₂₀
• 分子量: 939.0
• InChiKey: GASDEGHQVQRIHM-YRRRMEFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  299
• 氢给体数：
  9
• 氢受体数：
  20

文献信息

• GLYCOSYLATE DERIVATIVES OF MITHRAMYCIN, METHOD OF PREPARATION AND USES THEREOF
  申请人：UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION

  公开号：EP2151448B1

  公开（公告）日：2014-04-23