[19-[6-(1,3-Dihydroxybutyl)-3,4,7-trihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-7-[2,3-dihydroxy-3-[6,7,11,21,25-pentahydroxy-13,17-dimethyl-8-(3,8,11,15-tetrahydroxy-4,9,13-trimethyl-12-methylidene-7-sulfooxypentadec-13-en-2-yl)-4,9,14,18,23,27-hexaoxahexacyclo[13.12.0.03,13.05,10.017,26.019,24]heptacosan-22-yl]propyl]-9,17,18,22-tetrahydroxy-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-8-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [19-[6-(1,3-Dihydroxybutyl)-3,4,7-trihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-7-[2,3-dihydroxy-3-[6,7,11,21,25-pentahydroxy-13,17-dimethyl-8-(3,8,11,15-tetrahydroxy-4,9,13-trimethyl-12-methylidene-7-sulfooxypentadec-13-en-2-yl)-4,9,14,18,23,27-hexaoxahexacyclo[13.12.0.03,13.05,10.017,26.019,24]heptacosan-22-yl]propyl]-9,17,18,22-tetrahydroxy-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-8-yl] hydrogen sulfate
• 英文别名: [19-[6-(1,3-dihydroxybutyl)-3,4,7-trihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-7-[2,3-dihydroxy-3-[6,7,11,21,25-pentahydroxy-13,17-dimethyl-8-(3,8,11,15-tetrahydroxy-4,9,13-trimethyl-12-methylidene-7-sulfooxypentadec-13-en-2-yl)-4,9,14,18,23,27-hexaoxahexacyclo[13.12.0.03,13.05,10.017,26.019,24]heptacosan-22-yl]propyl]-9,17,18,22-tetrahydroxy-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-8-yl] hydrogen sulfate
• 化学式: C₇₄H₁₂₀O₄₁S₂
• 分子量: 1729.9
• InChiKey: JYNNURSXFNEFJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.9
• 重原子数：
  117
• 可旋转键数：
  25
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  669
• 氢给体数：
  22
• 氢受体数：
  41