Sodium;33-[7-benzyl-8-hydroxy-12-[10-hydroxy-20-(methylaminomethyl)-6-tetracyclo[10.8.0.04,9.013,18]icosa-1(12),4(9),5,7,13,15,17,19-octaenyl]-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 - 苯类化合物 - 四氢化萘
• 英文名称: Sodium;33-[7-benzyl-8-hydroxy-12-[10-hydroxy-20-(methylaminomethyl)-6-tetracyclo[10.8.0.04,9.013,18]icosa-1(12),4(9),5,7,13,15,17,19-octaenyl]-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-[10-hydroxy-20-(methylaminomethyl)-6-tetracyclo[10.8.0.04,9.013,18]icosa-1(12),4(9),5,7,13,15,17,19-octaenyl]-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: C83H89N4NaO9S
• 分子量: 1341.7
• InChiKey: QRARMQVBDSACGZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.67
• 重原子数：
  98
• 可旋转键数：
  9
• 环数：
  18.0
• 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