natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD121222 | 0.65 | 698.75 | C37H40O9N5 | N=C(N)NCc1c(CCc2ccccc2)c2c(c(O)c1OC1OC(CO)C(O)C(O)C1OCCc1ccnc([NH3+])c1)C(=O)c1ccccc1C2=[O+] |
|
GD121223 | 6.91 | 1039.29 | C52H95O18P | CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCC |
|
GD121224 | 0.61 | 452.5 | C23H32O9 | C=C1C(=O)OC2C=C(C)C3CCC(C)(OC4OC(COC(C)=O)C(O)C(O)C4O)C3CC12 |
|
GD121225 | 5.33 | 764.91 | C40H60O14 | CC=C(C)C(=O)OC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC2(C)C(CCC(C)CC(=O)OC)C(C)=CCC2C1(C)C |
|
GD121226 | 0.5 | 717.75 | C38H41O12N2 | Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3 |
|
GD121227 | -2.65 | 550.35 | C16H28O15N2P2 | CC(O)C(COP(=O)(O)OP(=O)(O)C1OC(CO)C(O)C(O)C1O)OC(C)n1ccc(O)nc1=O |
|
GD121228 | -7.64 | 1845.98 | C85H136O43 | C=CC(C)(CCC=C(CO)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(C)C(O)C(O)C1O |
|
GD121229 | -3.97 | 436.41 | C17H28O11N2 | COC1=C(N)CC(O)(COC2C(CO)OC(O)C(O)C2O)CC1=NC(CO)C(=O)O |
|
GD121230 | -0.34 | 788.71 | C37H40O19 | COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)ccc1O |
|
GD121231 | 0.23 | 695.68 | C34H37O13N3 | CC(C)C(CNC(O)C1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1 |