Glycoside
GD024647
Name:
NoneFormula:
C9H13O5N3Smiles:
Nc1cc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)nc1[O-]Aglycone:
Nc1cc[nH+]nc1[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.22 | Num_heavy_atoms: | 17 |
| TPSA: | 135.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD16427
Formula: C4H5ON3
Smiles:
Nc1cc[nH+]nc1[O-]| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
