3-[[2-acetamido-4-[(2Z)-2-[5-[2-[[(4E,6Z,10E)-9-carbamoyloxy-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]amino]ethoxy]-5-oxopentan-2-ylidene]hydrazinyl]-4-oxobutanoyl]amino]-4-[[4-[(2Z)-2-[1-[(2S,4S)-4-[(2R,4R,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]hydrazinyl]-1-[3-(2-methoxyethoxy)propylamino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 3-[[2-acetamido-4-[(2Z)-2-[5-[2-[[(4E,6Z,10E)-9-carbamoyloxy-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]amino]ethoxy]-5-oxopentan-2-ylidene]hydrazinyl]-4-oxobutanoyl]amino]-4-[[4-[(2Z)-2-[1-[(2S,4S)-4-[(2R,4R,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]hydrazinyl]-1-[3-(2-methoxyethoxy)propylamino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C₈₂H₁₁₀N₁₂O₃₀
• 分子量: 1743.8
• InChiKey: WRFUWHYTGRMSOT-JCKKYFGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  124
• 可旋转键数：
  38
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  637
• 氢给体数：
  17
• 氢受体数：
  34