natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114973 | 0.53 | 888.06 | C44H73O17N | CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(O)C1O |
|
GD114974 | 0.08 | 522.46 | C24H26O13 | COc1ccc(-c2oc3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c(O)c3c(=O)c2OC)cc1O |
|
GD114975 | 3.33 | 712.92 | C38H64O12 | C=C(C)C(CCC(C)(O)C1CCC2(C)C1CCC1C3(C)C(O)C(O)C(OC4OC(CO)C(O)C(O)C4OC(C)=O)C(C)(C)C3CCC12C)OO |
|
GD114976 | 1.41 | 915.9 | C46H49O17N3 | Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C(NCCC=O)C(=O)O)C(O)(CO)C2(O)C(O)CCCO)c1 |
|
GD114977 | -2.8 | 446.41 | C19H26O12 | CC1OC(OCC2OC(OC(=O)c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD114978 | 4.36 | 851.08 | C46H74O14 | COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(OC4OC(COC(C)=O)C(O)C(O)C4O)CC3(C)C12 |
|
GD114979 | 3.13 | 1325.36 | C58H93O28N4P | C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)CC=CCC(C)=CCOC(COP(=O)(O)OC1OC(C(=N)O)C(C)(O)C(OC(=N)O)C1OC1OC(CO)C(OC2OC(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=O)O |
|
GD114980 | 2.42 | 937.02 | C49H56O13N6 | NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(C3CC(CO)C(CNc4ccc[nH]4)c4[nH]cnc43)c2)C1C(=O)O)c1ccccc1 |
|
GD114981 | -1.63 | 764.69 | C35H40O19 | CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(C)C(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(C=O)C2C=O)C(O)C1O |
|
GD114982 | 2.1 | 520.53 | C26H32O11 | CC1(C)OC(C)(OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2O)C(C)(O)C(C)(O)C1(C)O |