Gal(b1-7)LDManHep(a1-7)[GlcNAc(b1-3)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]D-gro-a-D-talOct2ulo-onic

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Gal(b1-7)LDManHep(a1-7)[GlcNAc(b1-3)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Kdo(a2-4)]D-gro-a-D-talOct2ulo-onic
• 英文别名: (2R,3S,4R,5S,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2S,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxyoxane-2-carboxylic acid
• 化学式: C₅₇H₉₅NO₄₉
• 分子量: 1578.3
• InChiKey: WRIGLATWQQXAAK-MYLSQREOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.6
• 重原子数：
  107
• 可旋转键数：
  30
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  829
• 氢给体数：
  32
• 氢受体数：
  49