Glycoside
GD101345
Name:
NoneFormula:
C23H24O7N4Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc(C(=O)OCc2ccccc2)cc1Aglycone:
NC(=O)C1=C(Nc2ccc(C(=O)OCc3ccccc3)cc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.47 | Num_heavy_atoms: | 34 |
| TPSA: | 169.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD42893
Formula: C18H15O3N4
Smiles:
NC(=O)C1=C(Nc2ccc(C(=O)OCc3ccccc3)cc2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.34 | Num_heavy_atoms: | 25 |
| TPSA: | 107.88 | NumAromaticRings: | 2 |
