natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114643 | 0.91 | 956.13 | C48H77O18N | CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)C(O)C34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O |
|
GD114644 | 1.21 | 856.86 | C44H46O15N3 | CCC(O)C1(O)C(O)C(C(O)OC(=O)C([NH2+]CCC=O)C(=O)O)OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C1ON1CC2=CC=NC2=C1c1cc(C)cc(C)c1 |
|
GD114645 | -1.42 | 327.72 | C11H18O7N3Cl | COC1OC(CN=C(O)N(CCCl)N=O)C(O)C(O)C1O |
|
GD114646 | -0.92 | 626.66 | C32H38O11N2 | CC(C)C(CNC(O)C1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CC[NH+]=C1 |
|
GD114647 | 2.63 | 608.6 | C32H32O12 | CC(=O)CCc1ccc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2OC(=O)C=Cc2ccccc2)cc1 |
|
GD114648 | 3.93 | 909.0 | C49H56O13N4 | CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C1(CC(C3CN=C(O)C3)C=CC1CNC)O2 |
|
GD114649 | 1.76 | 771.0 | C41H70O13 | CC(C)=CCCC(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C |
|
GD114650 | -4.99 | 1267.42 | C60H98O28 | CC1OC(OC2C(OCC34C=CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(C)(C)C7CCC65C)C3CC(C)(C)C(O)C4O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD114651 | 4.55 | 734.97 | C41H66O11 | CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O |
|
GD114652 | -0.4 | 964.92 | C45H56O23 | COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)C2O)cc1 |