Glycoside
GD089493
Name:
NoneFormula:
C21H30O6N5Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1cccc(CC[NH+]2CCOCC2)c1Aglycone:
NC(=O)C1=C(Nc2cccc(CC[NH+]3CCOCC3)c2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.5 | Num_heavy_atoms: | 32 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD39042
Formula: C16H21O2N5
Smiles:
NC(=O)C1=C(Nc2cccc(CC[NH+]3CCOCC3)c2)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.38 | Num_heavy_atoms: | 23 |
| TPSA: | 95.25 | NumAromaticRings: | 1 |
