natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119402 | 3.79 | 762.8 | C38H50O16 | CC(=O)OCC1OC(Oc2c(C(C)C)cc3c(c2O)C2(COC(C)=O)CCC(=O)C(C)(C)C2CC3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD119403 | 1.53 | 613.75 | C31H51O11N | CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC(=O)O)CC(C)C(=O)C=CC2(C)OC2C1C |
|
GD119404 | -1.39 | 404.41 | C18H28O10 | CC1OC(OCCCc2cc(O)c(OC(CO)CO)c(O)c2)C(O)C(O)C1O |
|
GD119405 | 4.57 | 853.9 | C45H49O13N4 | CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(C4(C5=NC=NC5)CCCCC4)C(O)C3O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1 |
|
GD119406 | 0.01 | 492.52 | C25H32O10 | COc1cc(C2Oc3ccc(CCCO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1O |
|
GD119407 | -5.24 | 1799.91 | C83H130O42 | CC(=O)OC1C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)OCC(C)C)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2OC(C)=O)OC(C)C(O)C1O |
|
GD119408 | -3.39 | 756.71 | C34H44O19 | COc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)O2 |
|
GD119409 | -1.11 | 1752.83 | C75H121O36N11 | CC=C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(O)C(CCCCCCCCCCCCC)OC1OCC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O)C(C)O)C(C)O)C(C)O)C(O)c1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(O)=NC(CCC(=N)O)C(=O)O)C(C)OC1OC(CO)C(O)C(O)C1O |
|
GD119410 | -3.31 | 418.4 | C18H26O11 | OCC1OC(OC2C(O)C(CO)OC(Oc3ccccc3)C2O)C(O)C(O)C1O |
|
GD119411 | -1.76 | 309.34 | C11H19O7NS | C=CC(O)CC(=NO)SC1OC(CO)C(O)C(O)C1O |