3,9-deoxy-L-gro-D-galNon2ulo5N7N-onic(a2-3)FucN(a1-3)QuiNAc(b1-3)Rha(a1-3)[Glc(a1-6)]Glc(b1-3)[Glc(a1-4)]GalN(a1-3)LDManHep6P(a1-3)LDManHep2P4P(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)a-GlcN

• 分子结构分类: 有机化合物 - 有机聚合物 - 多糖
• 英文名称: 3,9-deoxy-L-gro-D-galNon2ulo5N7N-onic(a2-3)FucN(a1-3)QuiNAc(b1-3)Rha(a1-3)[Glc(a1-6)]Glc(b1-3)[Glc(a1-4)]GalN(a1-3)LDManHep6P(a1-3)LDManHep2P4P(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)a-GlcN
• 英文别名: (2S,4S,5R,6S)-2-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2-[(2R,3S,4S,5S,6S)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4R,6R)-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]oxan-3-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3,5-diphosphonooxyoxan-4-yl]oxy-3,5-dihydroxy-6-[(1S)-2-hydroxy-1-phosphonooxyethyl]oxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3-amino-5-hydroxy-6-methyloxan-4-yl]oxy-5-amino-6-[(1R,2S)-1-amino-2-hydroxypropyl]-4-hydroxyoxane-2-carboxylic acid
• 化学式: C₉₅H₁₆₇N₇O₈₂P₄
• 分子量: 2843.2
• InChiKey: IXZBAHDUSDYSAZ-LHLKVZHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -46.8
• 重原子数：
  188
• 可旋转键数：
  54
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  1460
• 氢给体数：
  50
• 氢受体数：
  88