1,3,7,8,11,14,15,17-Octahydroxy-9-methyl-20-[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-(10,14,16,19,20,24,26,28,33,34,39,41,44,48,54,58,60,63,64-nonadecahydroxy-13,37,46,53,63-pentamethyl-2,30-dioxo-31,66-dioxa-3-azabicyclo[60.3.1]hexahexaconta-5,7,11,17,21,35,42,46,50,52,56-undecaen-32-yl)icos-12-ene-6-sulfonic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3,7,8,11,14,15,17-Octahydroxy-9-methyl-20-[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-(10,14,16,19,20,24,26,28,33,34,39,41,44,48,54,58,60,63,64-nonadecahydroxy-13,37,46,53,63-pentamethyl-2,30-dioxo-31,66-dioxa-3-azabicyclo[60.3.1]hexahexaconta-5,7,11,17,21,35,42,46,50,52,56-undecaen-32-yl)icos-12-ene-6-sulfonic acid
• 英文别名: 1,3,7,8,11,14,15,17-octahydroxy-9-methyl-20-[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-(10,14,16,19,20,24,26,28,33,34,39,41,44,48,54,58,60,63,64-nonadecahydroxy-13,37,46,53,63-pentamethyl-2,30-dioxo-31,66-dioxa-3-azabicyclo[60.3.1]hexahexaconta-5,7,11,17,21,35,42,46,50,52,56-undecaen-32-yl)icos-12-ene-6-sulfonic acid
• 化学式: C₁₂₈H₂₂₀N₂O₅₂S₂
• 分子量: 2683.2
• InChiKey: TXQWEGUUBNHIAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  184
• 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：
  1000
• 氢给体数：
  41
• 氢受体数：
  52