(1R,4S,5'R,6R,7S,7'S,7'aS,10S,12R,14R,16S,18S,20R,22S,24R,26S,27S,28R,32R,35S,36S,37R,39R,40R,41R)-5'-[(2S)-2-[(3S,5R,6R)-3,5-dihydroxy-6-(4-hydroxy-2-oxobutyl)oxan-2-yl]propyl]-41-methoxy-6,7',12,27-tetramethyl-13-methylidenespiro[17,21,25,29,43,44,45,46,47,48-decaoxadecacyclo[35.5.1.11,40.14,7.110,14.132,36.135,39.016,28.018,26.020,24]octatetracontane-22,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran]-30-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (1R,4S,5'R,6R,7S,7'S,7'aS,10S,12R,14R,16S,18S,20R,22S,24R,26S,27S,28R,32R,35S,36S,37R,39R,40R,41R)-5'-[(2S)-2-[(3S,5R,6R)-3,5-dihydroxy-6-(4-hydroxy-2-oxobutyl)oxan-2-yl]propyl]-41-methoxy-6,7',12,27-tetramethyl-13-methylidenespiro[17,21,25,29,43,44,45,46,47,48-decaoxadecacyclo[35.5.1.11,40.14,7.110,14.132,36.135,39.016,28.018,26.020,24]octatetracontane-22,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran]-30-one
• 化学式: C₆₂H₉₄O₁₉
• 分子量: 1143.4
• InChiKey: FDRWUGSTWGLTFW-QQBBAHBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  81
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  224
• 氢给体数：
  3
• 氢受体数：
  19

文献信息

• Factor IX: Remodeling and Glycoconjugation of Factor IX
  申请人：Novo Nordisk A/S

  公开号：US20140170728A1

  公开（公告）日：2014-06-19

  The invention includes methods and compositions for remodeling a peptide molecule, including the addition or deletion of one or more glycosyl groups to a peptide, and/or the addition of a modifying group to a peptide.