natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112663 | 4.65 | 683.68 | C38H29O8N5 | O=C(O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112671 | 4.88 | 566.56 | C33H26O9 | O=C(O[C@@H]1CO[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112676 | 4.89 | 610.62 | C35H30O10 | CO[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD112677 | 4.7 | 578.64 | C31H30O9S | CCS[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(C)=O |
|
GD112678 | 4.88 | 566.56 | C33H26O9 | O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)CO[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112683 | 4.65 | 683.68 | C38H29O8N5 | O=C(O[C@@H]1[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)O[C@@H](CO)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112684 | 4.65 | 683.68 | C38H29O8N5 | O=C(O[C@@H]1[C@H](CO)O[C@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112685 | 4.65 | 683.68 | C38H29O8N5 | O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](CO)O[C@H]1n1cnc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc21)c1ccccc1 |
|
GD112686 | 4.65 | 683.68 | C38H29O8N5 | O=C(O[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112688 | 4.88 | 566.56 | C33H26O9 | O=C(O[C@@H]1OC[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |