active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD004028 | -0.5 | 779.91 | C36H53O12N5S | CNC(C)[C@@H]1CCC(N)[C@H](O[C@@H]2C(N)C[C@H](NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O[C@@H]3OC[C@@](C)(O)C(NC)[C@H]3O)[C@H]2O)O1 |
|
GD025547 | -2.94 | 219.19 | C8H13O6N | N#CC[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD014672 | -1.62 | 302.67 | C11H11O5N4Cl | O=c1[nH]c(Cl)nc2c1ncn2C1OC(CO)C(O)C1O |
|
GD001086 | -0.09 | 578.53 | C28H26O10N4 | O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO |
|
|
GD001086 | -0.09 | 578.53 | C28H26O10N4 | O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO |
|
GD021038 | 3.34 | 869.15 | C46H80O13N2 | CCC1OC(=O)C[C@H](O)C(C)[C@H](O[C@@H]2OC(C)C(O)C(N(C)C)C2O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OC |
|
GD032562 | 3.11 | 534.69 | C30H46O8 | COC1C(O)C(C)O[C@H](OC2CC[C@]3(C)C4CC[C@]5(C)C(C6=CC(=O)OC6)CC[C@@]5(O)C4CC[C@H]3C2)C1O |
|
GD014243 | 2.45 | 915.04 | C45H54O11N8S | CC[C@]1(OC(=O)C(NC(=O)[C@H](CCCN=C(N)N)N=C(S)Nc2ccc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
GD005407 | 5.6 | 875.11 | C48H74O14 | CC[C@H](C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 |
|
GD022719 | 2.77 | 684.6 | C33H32O16 | CC(=O)OCC1OC(Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)cc4)oc3c2)[C@H](OC(C)=O)C(OC(C)=O)C1OC(C)=O |