natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD121052 | -2.04 | 640.59 | C29H36O16 | O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC(O)C(OC2OC(CO)C(O)C(OCCc3ccc(O)c(O)c3)C2O)C1O |
|
GD121053 | -1.46 | 762.77 | C37H42O12N6 | CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O |
|
GD121054 | -0.77 | 486.51 | C23H34O11 | C=C1C(=O)OC2CC(C)(O)C(C(=O)C(C)CCCOC3OC(COC(C)=O)C(O)C(O)C3O)C12 |
|
GD121055 | 0.87 | 1967.1 | C82H143O41N13 | CC(CC(COCCOCCOCCOCCOCCOCCOCC(COC1COC(C)(C(=O)O)OC1)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O |
|
GD121056 | -3.85 | 1153.27 | C54H88O26 | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
|
GD121057 | -2.65 | 478.45 | C20H30O13 | COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1C(OC)OCC(O)C1O |
|
GD121058 | 1.56 | 551.54 | C18H26O9N5PS2 | O=P(O)(O)OCC1OC(n2cnc3c(O)nc(N=C(O)CCCCC4CCSS4)nc32)C(O)C1O |
|
GD121059 | 0.39 | 365.43 | C18H27O5N3 | CN(C)CCN=C(O)CC1OC(CN=C(O)c2ccccc2)C(O)C1O |
|
GD121060 | 0.22 | 971.1 | C48H74O20 | CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC=O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1 |
|
GD121061 | 4.16 | 1507.54 | C72H98O34 | CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3CC4=CCC5C(CC(OC(C)=O)C6(C)C5CCC6C(C)(OC(C)=O)C5CC(C)=C(C)C(=O)O5)C4(C)C(OC(C)=O)C3)C(OC(C)=O)C2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |