natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112591 | 4.42 | 660.85 | C37H56O10 | COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)C=O)[C@H](O)[C@@H](O)[C@@H]1O |
|
GD112593 | 4.17 | 604.78 | C34H52O9 | COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@@H](C)O[C@@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O |
|
GD112596 | 4.07 | 644.76 | C35H48O11 | CO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@]43O)C2)O[C@@H](C)[C@H]1OC(C)=O |
|
GD112597 | 4.07 | 644.76 | C35H48O11 | CO[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](O[C@@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@@]43O)C2)[C@@H]1OC(C)=O |
|
GD112598 | 4.07 | 644.76 | C35H48O11 | CO[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](O[C@@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@@H]1OC(C)=O |
|
GD112599 | 4.07 | 644.76 | C35H48O11 | CO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@@]43O)C2)O[C@@H](C)[C@H]1OC(C)=O |
|
GD112600 | 4.12 | 604.82 | C32H60O10 | CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@H]1OCCO |
|
GD112601 | 4.12 | 604.82 | C32H60O10 | CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@H]1OCCO |
|
GD112602 | 4.03 | 655.8 | C37H50O8NF | C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/CCc4ccc(F)cc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O |
|
GD112607 | 4.12 | 604.82 | C32H60O10 | CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@@H]1OCCO |