[50-[6-[[7,11,13,16,17,21-Hexahydroxy-22-(4-hydroxy-6-oxooxan-2-yl)-10-methyldocosa-2,4,8,14,18-pentaenyl]carbamoyl]-3,4-dihydroxy-3-methyloxan-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-1-[4-methyl-8-[2,3,6,7-tetrahydroxy-4-methyl-7-[4,5,6-trihydroxy-6-[[(3,4,5-trihydroxy-9-methyl-7-sulfooxytetradecanoyl)amino]methyl]oxan-2-yl]heptyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentaconta-8,24,31,35,39,41,45-heptaen-15-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [50-[6-[[7,11,13,16,17,21-Hexahydroxy-22-(4-hydroxy-6-oxooxan-2-yl)-10-methyldocosa-2,4,8,14,18-pentaenyl]carbamoyl]-3,4-dihydroxy-3-methyloxan-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-1-[4-methyl-8-[2,3,6,7-tetrahydroxy-4-methyl-7-[4,5,6-trihydroxy-6-[[(3,4,5-trihydroxy-9-methyl-7-sulfooxytetradecanoyl)amino]methyl]oxan-2-yl]heptyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentaconta-8,24,31,35,39,41,45-heptaen-15-yl] hydrogen sulfate
• 英文别名: [50-[6-[[7,11,13,16,17,21-hexahydroxy-22-(4-hydroxy-6-oxooxan-2-yl)-10-methyldocosa-2,4,8,14,18-pentaenyl]carbamoyl]-3,4-dihydroxy-3-methyloxan-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-1-[4-methyl-8-[2,3,6,7-tetrahydroxy-4-methyl-7-[4,5,6-trihydroxy-6-[[(3,4,5-trihydroxy-9-methyl-7-sulfooxytetradecanoyl)amino]methyl]oxan-2-yl]heptyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentaconta-8,24,31,35,39,41,45-heptaen-15-yl] hydrogen sulfate
• 化学式: C₁₂₈H₂₂₀N₂O₅₃S₂
• 分子量: 2699.2
• InChiKey: HRQLFARYOQDFEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  185
• 可旋转键数：
  89
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  1010
• 氢给体数：
  41
• 氢受体数：
  53