5-[[6-[(2R,3R,4R,5S)-6-[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]oxy-2,3,4,5-tetrakis[6-[bis(3-carbamimidamidopropyl)amino]hexanoyloxy]hexoxy]-6-oxohexyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-[[6-[(2R,3R,4R,5S)-6-[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]oxy-2,3,4,5-tetrakis[6-[bis(3-carbamimidamidopropyl)amino]hexanoyloxy]hexoxy]-6-oxohexyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
• 化学式: C₁₄₀H₂₀₅N₃₁O₃₂S
• 分子量: 2866.4
• InChiKey: NOWJFMOROUMDPA-YMIMXFMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  204
• 可旋转键数：
  109
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  1030
• 氢给体数：
  31
• 氢受体数：
  45