natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119362 | 3.87 | 750.97 | C41H66O12 | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(O)C(O)C2O)C(O)C(O)C1O |
|
GD119363 | 0.47 | 871.07 | C45H74O16 | C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C4O)C(C)(C)C3CCC21C |
|
GD119364 | 0.69 | 518.52 | C26H30O11 | COC1=C(c2ccc(OC)c(OC)c2)Cc2cc(OC3OC(CO)C(O)C(O)C3O)cc(OC)c2C1=O |
|
GD119365 | 2.05 | 458.46 | C24H26O9 | CC1(C)OC1Cc1cc2cc(-c3cc(O)cc(OC4OCC(O)C(O)C4O)c3)oc2cc1O |
|
GD119366 | -0.37 | 430.46 | C21H26O6N4 | O=C(NCC1OC(CC(=[O+])N2CCN(c3ccccn3)CC2)C(O)C1O)c1ccco1 |
|
GD119367 | -3.37 | 536.53 | C23H36O14 | COc1cc(CC(C)OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O |
|
GD119368 | 2.3 | 416.56 | C25H36O5 | Cc1ccc2c3c1CC(C)C3=CC1(C)CC(O)C(C)(CC(O)C(O)C(C)(O)CO)C21 |
|
GD119369 | -1.35 | 497.48 | C21H23O11NS | CC=C(C=C=S)C(=O)OC1C(C)OC(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)C(O)C1OC(C)=O |
|
GD119370 | 1.04 | 1155.33 | C55H94O25 | CCCCCC1CCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2OC(=O)C(C)CC)OC2C(O1)OC(C)C(O)C2O |
|
GD119371 | 4.89 | 684.87 | C39H56O10 | CC12CC=CC3(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C1(C)CCC3(C(=O)O)C(C=O)C2 |