natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114993 | 4.0 | 854.04 | C44H71O15N | CCCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)C1OC |
|
GD114994 | -3.65 | 2095.51 | C100H179O42N3 | CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N)C(O)C(C)O2)C(C)C=CC=CC(O)C(C)C(O)CC(O)CC(OC2OC(CO)C(O)C(O)C2O)C(C)C2CC(O)C(O)C(O)(CC(OC3OC(C)C(OC4OC(C)C(O)C(OC5CC(N)C(O)C(C)O5)C4O)C(OC4CC(N)C(O)C(C)O4)C3OC3OC(CO)C(O)C(O)C3O)C(C)CCC(O)CC(O)CC=CC1O)O2 |
|
GD114995 | -18.95 | 2191.8 | C50H78O71N4S10 | CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3OS(=O)(=O)O)C(O)C2O)OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC3OC(COS(=O)(=O)O)C(OC4OC(C(=O)O)C(OC5OC(COS(=O)(=O)O)C(OC6OC(C(=O)O)=CC(O)C6OS(=O)(=O)O)C(O)C5NS(=O)(=O)O)C(O)C4OS(=O)(=O)O)C(O)C3NS(=O)(=O)O)C(O)C2O)C1O |
|
GD114996 | -2.95 | 464.42 | C19H28O13 | COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc(O)c1OC |
|
GD114997 | 4.77 | 1029.23 | C54H80O17N2 | COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(O)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(C)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])O |
|
GD114998 | 0.49 | 492.48 | C24H28O11 | COc1ccc(C=CC(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2O)cc1OC |
|
GD114999 | -0.44 | 422.39 | C20H22O10 | COc1cc(O)c(C(=O)c2cccc(O)c2)c(O)c1C1OC(CO)C(O)C(O)C1O |
|
GD115000 | -0.22 | 538.46 | C24H26O14 | COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1O |
|
GD115001 | 5.09 | 854.14 | C49H75O11N | CNCc1ccc(COC2CC3(C)C(CCC45CCCC(CCCO)(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1 |
|
GD115002 | 0.24 | 728.8 | C34H48O10N8 | N=C(N)NCCCCN=C(O)C=Cc1cc(O)c2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)O2 |