natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120902 | 2.98 | 838.86 | C46H46O15 | CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(C4(O)CCCC4)c3C=O)c(O)c1C2=O |
|
GD120903 | 9.37 | 846.28 | C48H95O10N | CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)CC |
|
GD120904 | 1.22 | 796.83 | C42H44O12N4 | NC1CCCC1(c1ccccc1)C1C=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1 |
|
GD120905 | -3.47 | 590.58 | C26H38O15 | C=CCc1ccc(OC2OC(COC3OCC(O)(COC4OCC(O)C(O)C4O)C3O)C(O)C(O)C2O)c(OC)c1 |
|
GD120906 | 3.91 | 490.68 | C26H50O8 | CCCCCCCCCCCCCCC(CCCCC(=O)O)OC1OC(CO)C(O)C(O)C1O |
|
GD120907 | -0.27 | 770.91 | C39H62O15 | CC1COC2(CC1O)OC1CC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C |
|
GD120908 | 5.05 | 977.9 | C35H62O17N7P3S | CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O |
|
GD120909 | -0.15 | 450.4 | C21H22O11 | COc1ccc(OC)c2c(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3oc12 |
|
GD120910 | 5.58 | 444.65 | C25H48O6 | CC1OC(OCCCCCCCCCCCCCCCCCCC(=O)O)C(O)CC1O |
|
GD120911 | 1.15 | 614.77 | C32H54O11 | C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC12C |