[2,6,7,10,13,14,16-Heptahydroxy-1-(10,14,16,19,20,24,26,28,33,34,35,40,42,45,49,55,59,61,64,65-icosahydroxy-13,38,47,54,64-pentamethyl-2,30-dioxo-31,67-dioxa-3-azabicyclo[61.3.1]heptahexaconta-5,7,11,17,21,36,43,47,51,53,57-undecaen-32-yl)-8-methyl-19-[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]nonadec-11-en-5-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2,6,7,10,13,14,16-Heptahydroxy-1-(10,14,16,19,20,24,26,28,33,34,35,40,42,45,49,55,59,61,64,65-icosahydroxy-13,38,47,54,64-pentamethyl-2,30-dioxo-31,67-dioxa-3-azabicyclo[61.3.1]heptahexaconta-5,7,11,17,21,36,43,47,51,53,57-undecaen-32-yl)-8-methyl-19-[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]nonadec-11-en-5-yl] hydrogen sulfate
• 英文别名: [2,6,7,10,13,14,16-heptahydroxy-1-(10,14,16,19,20,24,26,28,33,34,35,40,42,45,49,55,59,61,64,65-icosahydroxy-13,38,47,54,64-pentamethyl-2,30-dioxo-31,67-dioxa-3-azabicyclo[61.3.1]heptahexaconta-5,7,11,17,21,36,43,47,51,53,57-undecaen-32-yl)-8-methyl-19-[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]nonadec-11-en-5-yl] hydrogen sulfate
• 化学式: C₁₂₈H₂₂₀N₂O₅₃S₂
• 分子量: 2699.2
• InChiKey: OIWWYEGFYYEEHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  185
• 可旋转键数：
  45
• 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