2-O-<2-acetamido-4-O-<2-acetamido-2,6-dideoxy-β-D-glucopyranosyl>-2,6-dideoxy-β-D-glucopyranosyl>-3-O-carbamoyl-1-O-<<(R)-2-carboxy-2-(3,8,8,11,14,18-hexamethyl-nonadecyloxy)-ethoxy>-hydroxyphosphoryl>-α-D-galactopyranuronamide | 152554-22-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-O-<2-acetamido-4-O-<2-acetamido-2,6-dideoxy-β-D-glucopyranosyl>-2,6-dideoxy-β-D-glucopyranosyl>-3-O-carbamoyl-1-O-<<(R)-2-carboxy-2-(3,8,8,11,14,18-hexamethyl-nonadecyloxy)-ethoxy>-hydroxyphosphoryl>-α-D-galactopyranuronamide
• 英文别名: (2R)-3-[[(2R,3R,4S,5R,6S)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-(3,8,8,11,14,18-hexamethylnonadecoxy)propanoic acid
• CAS: 152554-22-8
• 化学式: C₅₁H₉₃N₄O₂₁P
• 分子量: 1129.29
• InChiKey: QNTOZJJDNQUROL-GYSHMTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  77
• 可旋转键数：
  34
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  383
• 氢给体数：
  10
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  2-O-<2-acetamido-4-O-<2-acetamido-2,6-dideoxy-β-D-glucopyranosyl>-2,6-dideoxy-β-D-glucopyranosyl>-3-O-carbamoyl-1-O-<<(R)-2-carboxy-2-(3,8,8,11,14,18-hexamethyl-nonadecyloxy)-ethoxy>-hydroxyphosphoryl>-α-D-galactopyranuronamide 在 ammonium hydroxide 、 sodium periodate 、 sodium acetate 、 溶剂黄146 作用下， 生成 2-O-(2-acetamido-2,6-dideoxy-β-D-glucopyranosyl)-3-O-carbamoyl-1-O-<<(R)-2-carboxy-2-(3,8,8,11,14,18-hexamethyl-nonadecyloxy)-ethoxy>-hydroxyphosphoryl>-α-D-galactopyranuronamide
  参考文献：
  名称：

  The first moenomycin antibiotic without the methyl-branched uronic acid constituent.- Unexpected structure activity relations

  摘要：

  Isolation and structure elucidation of a new moenomycin antibiotic (C1, 1e) that lacks the branching methyl group in the 4-position of unit F are reported. The smallest antibiotically active degradation product of le is the trisaccharide derivative 3. This observation is in contrast to structure activity relations in the moenomycin A series where it was found that disaccharide 4a is fully active.

  DOI：

  10.1016/s0040-4020(01)87242-2
• 作为产物：
  描述：

  decahydromoenomycin C1 在 sodium periodate 、 硫酸 、 sodium acetate 、 potassium carbonate 、 溶剂黄146 、 偏二甲肼 、 potassium hexacyanoferrate(III) 作用下， 以 水 为溶剂， 反应 9.5h， 生成 2-O-<2-acetamido-4-O-<2-acetamido-2,6-dideoxy-β-D-glucopyranosyl>-2,6-dideoxy-β-D-glucopyranosyl>-3-O-carbamoyl-1-O-<<(R)-2-carboxy-2-(3,8,8,11,14,18-hexamethyl-nonadecyloxy)-ethoxy>-hydroxyphosphoryl>-α-D-galactopyranuronamide
  参考文献：
  名称：

  The first moenomycin antibiotic without the methyl-branched uronic acid constituent.- Unexpected structure activity relations

  摘要：

  Isolation and structure elucidation of a new moenomycin antibiotic (C1, 1e) that lacks the branching methyl group in the 4-position of unit F are reported. The smallest antibiotically active degradation product of le is the trisaccharide derivative 3. This observation is in contrast to structure activity relations in the moenomycin A series where it was found that disaccharide 4a is fully active.

  DOI：

  10.1016/s0040-4020(01)87242-2