2-[[[5-hydroxy-2-methyl-6-[[(5S,6S)-1,6,9,14-tetrahydroxy-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-5-yl]oxy]-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]-methyl-amino]methyl]prop-2-enoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 2-[[[5-hydroxy-2-methyl-6-[[(5S,6S)-1,6,9,14-tetrahydroxy-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-5-yl]oxy]-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]-methyl-amino]methyl]prop-2-enoic acid
• 英文别名: 2-[[[6-[[(5S,6S)-2-(1-carboxyethylcarbamoyl)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-5-yl]oxy]-5-hydroxy-2-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]-methylamino]methyl]prop-2-enoic acid
• 化学式: C₄₄H₄₈N₂O₂₀
• 分子量: 924.9
• InChiKey: XLPYXQGUZYXVRC-BNKHAYNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  349
• 氢给体数：
  11
• 氢受体数：
  21