Glycoside
GD103424
Name:
NoneFormula:
C22H32O6N5Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1Aglycone:
NC(=O)C1=C(Nc2ccc(OCC[NH+]3CCCCC3)cc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.53 | Num_heavy_atoms: | 33 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD43782
Formula: C17H23O2N5
Smiles:
NC(=O)C1=C(Nc2ccc(OCC[NH+]3CCCCC3)cc2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 329.4 | Num_heavy_atoms: | 24 |
| TPSA: | 95.25 | NumAromaticRings: | 1 |
