active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD014359 | 4.05 | 720.94 | C40H64O11 | C=C(C)[C@H](O)[C@H](O)CC(C)[C@@H]1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(COC(C)=O)C(O)C(O)C2O)[C@]13C |
|
GD020788 | 3.72 | 678.9 | C38H62O10 | CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5C(C)C[C@H](O)C4OC4(C)C)[C@]32C)C(O)C(O)C1O |
|
GD016497 | 3.9 | 752.98 | C41H68O12 | COC(C)(C)[C@H](O)[C@H](O)CC(C)[C@@H]1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(COC(C)=O)C(O)C(O)C2O)[C@]13C |
|
GD021673 | 3.48 | 678.9 | C38H62O10 | C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(CO)C(O)C(O)C2O)[C@]13C |
|
GD002777 | 3.24 | 738.96 | C40H66O12 | CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5C(C)C[C@H](O)[C@H](O)C(C)(C)O)[C@]32C)C(O)C(O)C1O |
|
GD019229 | 3.24 | 738.96 | C40H66O12 | CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5[C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)[C@]32C)C(O)C(O)C1O |
|
GD011290 | 2.67 | 696.92 | C38H64O11 | CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5[C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)[C@]32C)C(O)C(O)C1O |
|
GD006309 | 5.28 | 702.93 | C40H62O10 | C=C(C=O)CCCC(C)[C@@H]1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(COC(C)=O)C(O)C(O)C2O)[C@]13C |
|
GD004254 | 4.29 | 720.94 | C40H64O11 | CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5C(C)C[C@H](O)C4OC4(C)C)[C@]32C)C(O)C(O)C1O |
|
GD024571 | 0.16 | 425.45 | C20H23O4N7 | Nc1nc(NCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O |