natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119652 | 6.1 | 1187.43 | C62H94O20N2 | COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(C)C(OC7CC(O)C(OC)C(C)O7)C(O)C6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4C(C=C2C)C=C(CO)C(C)C4OC3=O)CC1(C)N(O)O |
|
GD119653 | -0.47 | 578.62 | C28H38O11N2 | CCC1CN2C(C(=O)O)Cc3c([nH]c4ccc(OC5OC(CO)C(O)C(O)C5O)cc34)C2CC1C(CO)C(=O)OC |
|
GD119654 | -0.81 | 232.28 | C10H20O4N2 | CC(C)N=C(O)CC1OC(CN)C(O)C1O |
|
GD119655 | 0.15 | 434.4 | C21H22O10 | CC(=O)Cc1cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2c(O)c1C(C)=O |
|
GD119656 | -7.36 | 884.73 | C26H32O21N10S2 | N=c1nc(O)c2nc(CC(OC(Cc3cnc4[nH]c(=N)nc(O)c4n3)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)cnc2[nH]1 |
|
GD119657 | -5.63 | 496.51 | C19H36O11N4 | CC(O)=NC1CC(N)C(O)C(OC2OC(CO)C(O)C2O)C1OC1OC(CN)C(O)C(O)C1N |
|
GD119658 | 2.88 | 778.98 | C42H66O13 | COC1CC2C3(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C2(C)CCC34CCC(C)(OC3=O)C(C)(O)C4=C12 |
|
GD119659 | 1.19 | 400.51 | C21H36O7 | C=CC(C)(O)CC(C=C(C)CCC=C(C)C)OC1OC(CO)C(O)C(O)C1O |
|
GD119660 | -1.49 | 2217.5 | C100H177O48N5 | CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC5OC(CO)C(OC6(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O6)C(OC6(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O6)C5O)O4)C3N=C(C)O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)C |
|
GD119661 | -2.12 | 245.23 | C10H15O6N | C=C(C#N)COC1OC(CO)C(O)C(O)C1O |