2-[[(5S,6S)-5-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[(5S,6S)-5-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
• 英文别名: 2-[[(5S,6S)-5-[4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
• 化学式: C₄₅H₅₂N₂O₂₂
• 分子量: 972.9
• InChiKey: PFKKFJXUCPBENH-NOIXJOCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  69
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  380
• 氢给体数：
  13
• 氢受体数：
  23