5-[5-[5-[6-[12-[5-[9-[6-[10-[6-[4-[6-[21-[6-[5-[7-[2-[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]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-3,4-dihydroxy-2-methylpent-1-enyl]-3-methyloxolan-2-yl]-N-(2-hydroxyethyl)-5-oxopent-2-enamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-[5-[5-[6-[12-[5-[9-[6-[10-[6-[4-[6-[21-[6-[5-[7-[2-[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]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-3,4-dihydroxy-2-methylpent-1-enyl]-3-methyloxolan-2-yl]-N-(2-hydroxyethyl)-5-oxopent-2-enamide
• 化学式: C₁₂₉H₂₂₀N₂O₅₃
• 分子量: 2647.1
• InChiKey: ULVXRMJMHLWOIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  184
• 可旋转键数：
  77
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  983
• 氢给体数：
  42
• 氢受体数：
  54