GlcN(a1-7)LDManHep(a1-2)LDManHep(a1-3)[Gal(b1-4)[DDManHep(a1-6)]DDManHep(a1-6)Glc(b1-4)][LDManHep(a1-6)]LDManHep(a1-5)a-Kdo4P

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: GlcN(a1-7)LDManHep(a1-2)LDManHep(a1-3)[Gal(b1-4)[DDManHep(a1-6)]DDManHep(a1-6)Glc(b1-4)][LDManHep(a1-6)]LDManHep(a1-5)a-Kdo4P
• 英文别名: (2R,4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-6-[(1R)-1-[(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-phosphonooxyoxane-2-carboxylic acid
• 化学式: C₆₈H₁₁₈NO₆₁P
• 分子量: 1956.6
• InChiKey: SIPWMLVHLSJLSZ-MMSADCTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -26.7
• 重原子数：
  131
• 可旋转键数：
  38
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.99
• 拓扑面积：
  1030
• 氢给体数：
  40
• 氢受体数：
  62