Sodium;33-[7-benzyl-8-hydroxy-12-[2-hydroxy-16-(methylaminomethyl)-23-heptacyclo[17.6.1.02,7.05,10.08,17.09,14.022,26]hexacosa-1(26),3,8,10,12,14,16,20,22,24-decaenyl]-6-tricyclo[6.4.0.04,9]dodec-2-enyl]-33-(diaminomethylideneamino)-13-hydroxy-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: Sodium;33-[7-benzyl-8-hydroxy-12-[2-hydroxy-16-(methylaminomethyl)-23-heptacyclo[17.6.1.02,7.05,10.08,17.09,14.022,26]hexacosa-1(26),3,8,10,12,14,16,20,22,24-decaenyl]-6-tricyclo[6.4.0.04,9]dodec-2-enyl]-33-(diaminomethylideneamino)-13-hydroxy-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate
• 英文别名: sodium;33-[7-benzyl-8-hydroxy-12-[2-hydroxy-16-(methylaminomethyl)-23-heptacyclo[17.6.1.02,7.05,10.08,17.09,14.022,26]hexacosa-1(26),3,8,10,12,14,16,20,22,24-decaenyl]-6-tricyclo[6.4.0.04,9]dodec-2-enyl]-33-(diaminomethylideneamino)-13-hydroxy-7-(hydroxymethyl)-24-methyl-32,41-dioxaoctacyclo[32.2.2.13,18.15,17.127,31.02,20.011,16.023,28]hentetraconta-1(36),11(16),12,14,18,27,29,31(39),34,37-decaen-9-yne-21-sulfonate
• 化学式: C89H91N4NaO9S
• 分子量: 1415.7
• InChiKey: QDNPVQWXJFXODZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.99
• 重原子数：
  104
• 可旋转键数：
  9
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  241
• 氢给体数：
  7
• 氢受体数：
  11