[1,2,4,8,9,12,15,16,18-Nonahydroxy-10-methyl-21-[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]-1-(10,14,16,19,20,24,26,28,33,38,40,43,47,53,57,59,62,63-octadecahydroxy-13,36,45,52,62-pentamethyl-2,30-dioxo-31,65-dioxa-3-azabicyclo[59.3.1]pentahexaconta-5,7,11,17,21,34,41,45,49,51,55-undecaen-32-yl)henicos-13-en-7-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1,2,4,8,9,12,15,16,18-Nonahydroxy-10-methyl-21-[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]-1-(10,14,16,19,20,24,26,28,33,38,40,43,47,53,57,59,62,63-octadecahydroxy-13,36,45,52,62-pentamethyl-2,30-dioxo-31,65-dioxa-3-azabicyclo[59.3.1]pentahexaconta-5,7,11,17,21,34,41,45,49,51,55-undecaen-32-yl)henicos-13-en-7-yl] hydrogen sulfate
• 英文别名: [1,2,4,8,9,12,15,16,18-nonahydroxy-10-methyl-21-[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]-1-(10,14,16,19,20,24,26,28,33,38,40,43,47,53,57,59,62,63-octadecahydroxy-13,36,45,52,62-pentamethyl-2,30-dioxo-31,65-dioxa-3-azabicyclo[59.3.1]pentahexaconta-5,7,11,17,21,34,41,45,49,51,55-undecaen-32-yl)henicos-13-en-7-yl] hydrogen sulfate
• 化学式: C₁₂₈H₂₂₀N₂O₅₃S₂
• 分子量: 2699.2
• InChiKey: SUDLSDYMCOATDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  185
• 可旋转键数：
  47
• 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