natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD121102 | -0.39 | 717.13 | C27H42O13N4PClS | CCC1CCNC(C(O)=NC(C(C)Cl)C2OC(SC)C(O)C(OP(=O)(O)OCC3OC(n4ccc(O)nc4=O)C(O)C3O)C2O)C1 |
|
GD121103 | 4.12 | 659.82 | C36H53O10N | CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC(C)=CC(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)O |
|
GD121104 | -2.13 | 258.23 | C10H14O6N2 | Cc1cn(C2OC(CO)C(O)C2O)c(=O)nc1O |
|
GD121105 | -0.36 | 547.52 | C25H29O11N3 | CC(OC1OC(CO)C(O)C(O)C1O)c1nc(C(=O)NC(CCC(=O)O)C(=O)O)cc2c1[nH]c1ccccc12 |
|
GD121106 | -3.1 | 257.27 | C11H17O5N2 | [NH2+]=C(O)C1=CN(C2OC(CO)C(O)C2O)CC=C1 |
|
GD121107 | 0.24 | 904.96 | C45H60O19 | COc1cc(C(O)C(CO)Oc2c(OC)cc(C3CCC4C(c5ccc(OC6OC(CO)C(O)C(O)C6O)c(OC)c5)CCC34)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1O |
|
GD121108 | 7.5 | 1077.19 | C60H68O18 | CC(=O)OCC1OC(OC2COC(OCc3ccccc3)C(OC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C2OCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD121109 | 0.92 | 518.52 | C26H30O11 | COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2OC)ccc1OC1OC(CO)C(O)C(O)C1O |
|
GD121110 | -7.09 | 604.51 | C22H36O19 | COC1C(C(=O)O)OC(OC2C(OC3COC(OC4COC(O)C(O)C4O)C(O)C3O)OCC(O)C2O)C(O)C1O |
|
GD121111 | 3.38 | 750.97 | C41H66O12 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C |