2-[6-[[6-[6-[2-[bis[2-[[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.23,6]octadecan-5-yl]methylcarbamothioylamino]ethyl]amino]ethylcarbamothioylamino]-4-hydroxy-5-(sulfoamino)-2-(sulfomethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-(sulfoamino)oxan-3-yl]oxymethyl]-4-hydroxy-5-(sulfoamino)-2-(sulfomethyl)oxan-3-yl]oxy-4-hydroxy-3-(sulfoamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

• 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: 2-[6-[[6-[6-[2-[bis[2-[[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.23,6]octadecan-5-yl]methylcarbamothioylamino]ethyl]amino]ethylcarbamothioylamino]-4-hydroxy-5-(sulfoamino)-2-(sulfomethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-(sulfoamino)oxan-3-yl]oxymethyl]-4-hydroxy-5-(sulfoamino)-2-(sulfomethyl)oxan-3-yl]oxy-4-hydroxy-3-(sulfoamino)-3,4-dihydro-2H-pyran-6-carboxylic acid
• 化学式: C₆₆H₁₁₃N₁₁O₅₁S₉
• 分子量: 2165.3
• InChiKey: QRTOGWNBLOOYGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -19.1
• 重原子数：
  137
• 可旋转键数：
  37
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  1090
• 氢给体数：
  32
• 氢受体数：
  59