(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-3-[(1R)-1-hydroxy-3-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]propyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-lambda4-sulfanyl)oxyphenyl]ethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-3-[(1R)-1-hydroxy-3-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]propyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-lambda4-sulfanyl)oxyphenyl]ethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
• 英文别名: (3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-18-amino-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-3-[(1R)-1-hydroxy-3-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]propyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-λ4-sulfanyl)oxyphenyl]ethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
• 化学式: C₄₀H₆₆N₈O₁₉S
• 分子量: 995.1
• InChiKey: PXVLTMQDLNUAIY-IPFLUSSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  68
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  439
• 氢给体数：
  17
• 氢受体数：
  22