DDManHep(a1-7)LDManHep(a1-3)LDManHep(a1-7)[Rha(a1-2)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Ara4N(b1-8)D-gro-D-talOct2ulo-onic(a2-4)]a-Kdo

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: DDManHep(a1-7)LDManHep(a1-3)LDManHep(a1-7)[Rha(a1-2)]LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[Ara4N(b1-8)D-gro-D-talOct2ulo-onic(a2-4)]a-Kdo
• 英文别名: (2R,3S,4S,5R,6R)-6-[(1R)-2-[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₆₈H₁₁₅NO₅₈
• 分子量: 1874.6
• InChiKey: KDYNKUNUIQRJAQ-KONRJHPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -24
• 重原子数：
  127
• 可旋转键数：
  35
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  984
• 氢给体数：
  38
• 氢受体数：
  59