Guanidine, ((4R,5R)-5-((3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-6,8,10,12,14,16,18,20,24,28,34,36-dodecahydroxy-21-(alpha-D-mannopyranosyloxy)-11,13,23,25,29,35,37,41-octamethyl-42-oxooxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl)-4-hydroxyhexyl)- | 121890-43-5

• 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: Guanidine, ((4R,5R)-5-((3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-6,8,10,12,14,16,18,20,24,28,34,36-dodecahydroxy-21-(alpha-D-mannopyranosyloxy)-11,13,23,25,29,35,37,41-octamethyl-42-oxooxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl)-4-hydroxyhexyl)-
• 英文别名: 2-[(4R,5R)-5-[(2S,4E,6S,8S,10R,11S,12R,13S,14S,16S,18S,20R,21R,24R,25S,26E,28S,29S,30E,34S,35S,36R,37S,40E)-6,8,10,11,12,14,16,20,24,28,34,36-dodecahydroxy-13,18,23,25,29,35,37,41-octamethyl-42-oxo-21-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl]-4-hydroxyhexyl]guanidine
• CAS: 121890-43-5
• 化学式: C₆₂H₁₁₁N₃O₂₁
• 分子量: 1234.6
• InChiKey: NMTGTXIJDSPVTD-VSLQPLMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  86
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  453
• 氢给体数：
  19
• 氢受体数：
  22