[(6-biotinamido)-6-hexanamidohexanamidoethyl-beta-]-[5-Acetamido-9-(p-azidobenzoylamino)-3,5,9-trideoxy-D-glycero-D-galacto-2-nonulopyranosylonate-alpha-2-6-O-D-galactopyranosyl-beta-1-4]-D-2-acetamido-2-deoxy-glucopyranoside

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: [(6-biotinamido)-6-hexanamidohexanamidoethyl-beta-]-[5-Acetamido-9-(p-azidobenzoylamino)-3,5,9-trideoxy-D-glycero-D-galacto-2-nonulopyranosylonate-alpha-2-6-O-D-galactopyranosyl-beta-1-4]-D-2-acetamido-2-deoxy-glucopyranoside
• 英文别名: (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[2-[6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-acetamido-6-[(1S,2S)-3-[(4-azidobenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid
• 化学式: C56H87N11O23S
• 分子量: 1314.4
• InChiKey: NADFJCDLBQDEQM-AOUQAEMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  91
• 可旋转键数：
  36
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  510
• 氢给体数：
  17
• 氢受体数：
  26