Ostreocin D | 163648-25-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ostreocin D
• 英文别名: (E,2S,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,5R)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2S,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-4,5,6-trihydroxyoxan-2-yl]-8,9-dihydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,5-tetrahydroxydodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-7-methyldec-6-enamide
• CAS: 163648-25-7
• 化学式: C₁₂₇H₂₁₉N₃O₅₃
• 分子量: 2636.1
• InChiKey: QJZSVGZHSZCZHY-YNRYLGGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.5
• 重原子数：
  183
• 可旋转键数：
  80
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  1010
• 氢给体数：
  44
• 氢受体数：
  54