Hexadecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[2-(3,4-dihydroxy-phenyl)-1,2-dihydroxy-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0^9,13]heptacos-18-yl]-amide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Hexadecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[2-(3,4-dihydroxy-phenyl)-1,2-dihydroxy-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0^9,13]heptacos-18-yl]-amide
• 英文别名: N-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]hexadecanamide
• 化学式: C₅₁H₈₂N₈O₁₈
• 分子量: 1095.25
• InChiKey: VDLVWAMNEYGEPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  77
• 可旋转键数：
  22
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  432
• 氢给体数：
  16
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  WF11899A 反应 30.0h， 以26 mg的产率得到Hexadecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[2-(3,4-dihydroxy-phenyl)-1,2-dihydroxy-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0^9,13]heptacos-18-yl]-amide
  参考文献：
  名称：

  WF11899A, B and C, novel antifungal lipopeptides. I. Taxonomy, fermentation, isolation and physico-chemical properties.

  摘要：

  WF 11899A, B and C, novel antifungal lipopeptide antibiotics were isolated from the culture broth of Coleophoma empetri F-11899. These compounds belong to the echinocandin type of lipopeptides. Of these compounds, WF11899 A showed good solubility in water. These three antibiotics possess potent in vitro antifungal activities against Candida spp.

  DOI：

  10.7164/antibiotics.47.1084