1-O-[α-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl-(1->6)-βD-galactopyranosyl]-(2S,3S,4R)2-[2R-hydroxytetracosanoylamino]-1,3,4-octadecanetriol | 1290610-20-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: 1-O-[α-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl-(1->6)-βD-galactopyranosyl]-(2S,3S,4R)2-[2R-hydroxytetracosanoylamino]-1,3,4-octadecanetriol
• 英文别名: neurosporaside；(2R)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide
• CAS: 1290610-20-6
• 化学式: C₆₆H₁₂₅NO₂₅
• 分子量: 1332.71
• InChiKey: DYFCURYAMUDPOM-QFXMLPKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  92
• 可旋转键数：
  51
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  427
• 氢给体数：
  17
• 氢受体数：
  25

反应信息

• 作为产物：
  描述：

  neurosporaside peracetate 在 甲醇 、 sodium methylate 作用下， 反应 18.0h， 生成 1-O-[α-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl-(1->6)-βD-galactopyranosyl]-(2S,3S,4R)2-[2R-hydroxytetracosanoylamino]-1,3,4-octadecanetriol
  参考文献：
  名称：

  Neurosporaside, a Tetraglycosylated Sphingolipid from Neurospora crassa

  摘要：

  The new tetraglycosylceramide neurosporaside (1a) has been isolated from the fungus Neurospora crassa. Neurosporaside is a tetraglycosylated glycosphingolipid characterized by a; sugar, chain, unprecedented natural glycoconjugates. The Structure of neurosporaside. was elucidated by extensive spectroscopic analysis and microscale de gradation analysis, which allowed full structure; elucidation using less than 1 mg of compound.

  DOI：

  10.1021/np1009493