natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD009429 | -2.53 | 770.69 | C34H42O20 | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
|
GD009434 | -2.12 | 150.09 | C4H6O6 | O=C(O)[C@@H](O)[C@@H](O)C(=O)O |
|
GD009436 | -0.66 | 594.52 | C27H30O15 | C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD009440 | -7.13 | 700.71 | C27H44O12N10 | CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=NNC(=O)c2ccncc2)OC(CO)C(O)C1O |
|
GD009441 | 2.67 | 1107.29 | C54H90O23 | CC=C(C)C(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@@H]4[C@H](O[C@H](COC(=O)C(C)C)[C@H](O)[C@H]4O)O[C@H]4[C@@H](O[C@@H](C)[C@@H](O)[C@H]4O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3OC(=O)[C@H](C)[C@H](C)O)[C@H](O)[C@H]1O |
|
GD009448 | -1.18 | 578.52 | C27H30O14 | COc1cc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)ccc3c2=O)ccc1O |
|
GD009453 | 2.22 | 824.88 | C42H52O15N2 | CC[C@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC |
|
GD009460 | 0.58 | 672.64 | C36H32O13 | Cc1cc(O)c2c(c1)C(O)(c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3(O)C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=O |
|
GD009464 | -1.57 | 300.3 | C10H12O5N4S | OC[C@@H]1OC(n2c(S)nc3c(O)ncnc32)[C@H](O)[C@H]1O |
|
GD009465 | 3.71 | 660.85 | C37H56O10 | CC(=O)O[C@@H]1C[C@@]23C[C@]24CC[C@H](OC2OCC(O)C(O)C2O)C(C)(C)[C@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@H](C)[C@H]3[C@]12C)OC[C@]1(C)O[C@H]14 |