natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119492 | 0.67 | 466.57 | C25H38O8 | CC12CCC(=O)C=C1C(OC1OC(CO)C(O)C(O)C1O)CC1C2CCC2(C)C(O)CCC12 |
|
GD119493 | 6.24 | 602.9 | C37H62O6 | C=C(C(C)CCC(C)C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C |
|
GD119494 | 0.0 | 408.45 | C21H28O8 | C=C(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C=CC(=O)C(=C)C2C1 |
|
GD119495 | 0.65 | 484.5 | C22H32O10N2 | C=NC(C(=O)OC(COC(C)=O)C(O)C(O)C(COC(C)=O)OC(=O)C(N=C)=C(C)C)=C(C)C |
|
GD119496 | -2.64 | 1121.27 | C54H88O24 | COC12CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC3(C)C1C(C)C(CC=C(C)OC1OC(CO)C(O)C(O)C1O)O2 |
|
GD119497 | 3.61 | 840.02 | C43H69O15N | CCC(=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 |
|
GD119498 | -1.46 | 500.5 | C23H32O12 | CC(C)=CCc1cc(C(=O)O)ccc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O |
|
GD119499 | -2.94 | 426.46 | C18H34O11 | CC(C)CCCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD119500 | -0.42 | 623.5 | C27H27O17 | O=C(O)CC(=O)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(OC(=O)CC(=O)O)C1O |
|
GD119501 | 2.1 | 1071.15 | C57H62O15N6 | NC1CCC2C=Cc3ccccc3C12C1C2=C(CC(O)C(O)C2)C2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1 |