(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;5-[[(2S)-2-cyclohexyl-2-[[(2S)-2-[[(2S)-2-[[(2S,4R)-1-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanoic acid;9H-fluoren-9-ylmethyl 3-[(2S,4R)-4-hydroxy-2-[[(2S)-1-[[(2S)-3-hydroxy-1-[[5-[[3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-5-oxopentyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxopropanoate

• 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: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;5-[[(2S)-2-cyclohexyl-2-[[(2S)-2-[[(2S)-2-[[(2S,4R)-1-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanoic acid;9H-fluoren-9-ylmethyl 3-[(2S,4R)-4-hydroxy-2-[[(2S)-1-[[(2S)-3-hydroxy-1-[[5-[[3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-5-oxopentyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxopropanoate
• 化学式: C128H149N11O42
• 分子量: 2513.6
• InChiKey: NQZJOUKPANAQOG-JTBWGYCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  181
• 可旋转键数：
  46
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  830
• 氢给体数：
  24
• 氢受体数：
  43