[1-(10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-Henicosahydroxy-13,40,49,56,66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl)-4,5,8,11,12,14-hexahydroxy-6-methyl-17-[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]heptadec-9-en-3-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-(10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-Henicosahydroxy-13,40,49,56,66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl)-4,5,8,11,12,14-hexahydroxy-6-methyl-17-[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]heptadec-9-en-3-yl] hydrogen sulfate
• 英文别名: [1-(10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56,66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl)-4,5,8,11,12,14-hexahydroxy-6-methyl-17-[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]heptadec-9-en-3-yl] hydrogen sulfate
• 化学式: C₁₂₈H₂₂₀N₂O₅₃S₂
• 分子量: 2699.2
• InChiKey: NGCPTBMWWDVMQB-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：
  43
• 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