Glycoside
GD070482
Name:
NoneFormula:
C18H22O5N4Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc(C2CC2)cc1Aglycone:
NC(=O)C1=C(Nc2ccc(C3CC3)cc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.4 | Num_heavy_atoms: | 27 |
| TPSA: | 142.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD33409
Formula: C13H13ON4
Smiles:
NC(=O)C1=C(Nc2ccc(C3CC3)cc2)[N]C=N1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 241.27 | Num_heavy_atoms: | 18 |
| TPSA: | 81.58 | NumAromaticRings: | 1 |
