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2 结果
2.1 肉苁蓉苯乙醇总苷的活性成分及其预测靶点
通过在TCMSP、ETCM、TCMID数据库及文献115-16内检索,最终确定29个化合物作为候选化合物。包括Echinacoside、Acteoside、Isoacteoside、2'-Acetylacteoside、Tubuloside A等,基本信息,见表1。通过数据库及PharmMapper
预测出成分的靶标并去重后,获得410个可能的靶标。
表1肉苁蓉苯乙醇苷类成分基本信息
序号 |
化合物名称(英文) |
化合物名称(中文) |
化学式 |
分子量 |
PhGs1 |
Kankanoside F |
- |
CxH4oOn |
624.6 |
PhGs2 |
Decaffeoylacteoside |
脱咖啡酰基毛蕊花糖苷 |
C2H30O2 |
462.4 |
PhGs3 |
Cistanoside E |
肉苁蓉苷E |
C21H32O12 |
476.5 |
PhGs4 |
Echinacoside |
松果菊苷 |
C3sH46O2 |
786.7 |
PhGs5 |
Cis-echinacoside |
顺式-松果菊苷 |
C3sH46O20 |
786.7 |
PhGs6 |
Poliumoside |
金石蚕苷 |
C3sH46O19 |
770.7 |
PhGs7 |
Cistanoside A |
肉苁蓉苷A |
CxH48O2 |
800.8 |
PhGs8 |
Tubuloside A |
管花苷A |
CnH4sO2 |
828.8 |
PhGs9 |
Acteoside |
毛蕊花糖苷 |
C2H36O1s |
624.6 |
PhGs10 |
Calceolarioside A |
荷包花苷A |
C2H26On |
478.4 |
PhGs11 |
Isoacteoside |
异毛蕊花糖苷 |
C2H36O1s |
624.6 |
Syringalide A3'-a-L- |
||||
PhGs12 |
C2H36O4 |
608.6 |
||
rhamnopyranoside |
||||
PhGs13 |
2'-Acetylacteoside |
2'-乙酰毛蕊花糖苷 |
C3H38O16 |
666.6 |
PhGs14 |
Cistanoside C |
肉蓉苷C |
CxH3sO1s |
638.6 |
PhGs15 |
Osmanthuside B |
- |
C2H36O3 |
592.6 |
PhGs16 |
Isocistanoside C |
异肉苁蓉苷C |
CxH38O1s |
638.6 |
PhGs17 |
Tubuloside B |
管花苷B |
C3H38O16 |
666.6 |
PhGs18 |
Cistanoside D |
肉苁蓉苷D |
C3HaoOis |
652.6 |
PhGs19 |
Osmanthuside B6 |
- |
C2H36O |
592.6 |
PhGs20 |
Salsaside F |
- |
C31H38O1s |
650.6 |
PhGs21 |
Cistanoside H |
肉苁蓉苷H |
C31H38O1s |
650.6 |
PhGs22 |
Eutigoside A |
- |
C23HxO9 |
446.4 |
PhGs23 |
Salidroside |
红景天苷 |
C14H2O7 |
300.3 |
PhGs24 |
Cistanoside B |
肉苁蓉苷B |
C3HsoO2 |
814.8 |
PhGs25 |
Cistanoside G |
肉苁蓉苷G |
C20H30O |
446.4 |
PhGs26 |
Plantainoside |
- |
CxH3sO1s |
638.6 |
PhGs27 |
Tubuloside C |
管花苷C |
CaHsaO24 |
954.9 |
PhGs28 |
Tubuloside D |
管花苷D |
CaHs4O2 |
938.9 |
PhGs29 |
Purpureaside C |
- |
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