natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119002 | 2.09 | 484.59 | C28H36O7 | CC(c1ccc2c(c1)CCC1C2C2OC2C2(O)CC=CC(=O)C12C)C1CC(C)(O)C(C)(O)C(O)O1 |
|
GD119003 | 0.18 | 410.42 | C20H26O9 | CC1=C2C(=O)OC(c3ccco3)C2(C)CCC1OC1OC(CO)C(O)C(O)C1O |
|
GD119004 | 0.91 | 941.12 | C48H76O18 | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(=O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
|
GD119005 | 0.54 | 989.2 | C50H84O19 | CC(=O)OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CC23C)C(O)C(O)C1O |
|
GD119006 | 4.78 | 705.03 | C38H76O9N2 | CCCCOC(CCCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1O)C(C)N)CC(=O)CCCCCCCC(O)C(C)N |
|
GD119007 | -0.54 | 464.38 | C21H20O12 | O=c1cc(-c2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2O)oc2cc(O)cc(O)c12 |
|
GD119008 | 2.57 | 813.03 | C43H72O14 | CC(=O)OC1C(OC2CCC3(C)C(C(OC4OCC(O)C(O)C4O)CC4C5(C)CC(O)C(C6(C)CCC(C(C)(C)O)O6)C5(C)CCC43C)C2(C)C)OCC(O)C1O |
|
GD119009 | 1.87 | 435.52 | C22H33O6N3 | COc1ccc(CN=C(O)CC2OC(CN=C(O)NC3CCCCC3)C(O)C2O)cc1 |
|
GD119010 | -1.88 | 537.52 | C25H31O12N | O=C(OCC1(O)COC(OC2C(Oc3ccc(CCO)cc3)OC(CO)C(O)C2O)C1O)c1ccccn1 |
|
GD119011 | 14.11 | 1473.8 | C72H134O24N2P2 | CCCCCCCCCCCC(=O)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCC)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCC |