5-[[3-[[20-[8-Acetyloxy-6-(2,3-dimethoxypropanoyloxy)-11-[formyl(methyl)amino]-2-methoxy-3,7,9-trimethylundec-10-enyl]-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-14-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-[[3-[[20-[8-Acetyloxy-6-(2,3-dimethoxypropanoyloxy)-11-[formyl(methyl)amino]-2-methoxy-3,7,9-trimethylundec-10-enyl]-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-14-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid
• 英文别名: 5-[[3-[[20-[8-acetyloxy-6-(2,3-dimethoxypropanoyloxy)-11-[formyl(methyl)amino]-2-methoxy-3,7,9-trimethylundec-10-enyl]-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-14-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid
• 化学式: C₆₂H₉₁N₇O₂₃S
• 分子量: 1334.5
• InChiKey: RUUMJBGFCHHXFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  93
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  445
• 氢给体数：
  6
• 氢受体数：
  28