natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120352 | 1.16 | 474.33 | C19H17O5N5Cl2S | N=c1nc(O)c2nc(SCc3ccc(Cl)cc3Cl)n(C3OC(CO)C(O)C3O)c2[nH]1 |
|
GD120353 | 1.05 | 628.63 | C31H36O12N2 | COc1c(OC2OC(C(=O)O)C(O)(CC3CNCN3)C(O)C2O)cc2oc(-c3ccc(OC4CCCC4)cc3)cc(=O)c2c1O |
|
GD120354 | -1.12 | 526.5 | C26H26O10N2 | O=C1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)C1(CCO)OC1OC(CO)C(O)C(O)C1O |
|
GD120355 | 1.94 | 744.8 | C39H44O11N4 | CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3OCCNC(=N)N)c(C3CCNCC3)c(O)c1C2=O |
|
GD120356 | -0.47 | 803.0 | C41H70O15 | CC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C |
|
GD120357 | 4.11 | 632.79 | C35H52O10 | CCC(C(=O)CC(C)C1=C(O)C(=O)C2C3=CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C |
|
GD120358 | -5.94 | 386.31 | C13H22O13 | O=C(O)C1OC(OC(CO)C2OC(O)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD120359 | -2.78 | 859.01 | C37H56O14N5S2 | C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C2C(=O)OC3CCCC3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3 |
|
GD120360 | 0.45 | 484.5 | C23H32O11 | CC(C)=CCC(OC(=O)c1cc(O)c(O)c(O)c1)C(C)=CCOC1OC(CO)C(O)C(O)C1O |
|
GD120361 | 10.77 | 805.15 | C50H76O8 | CCC(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C(O)C(O)C1O |