Glycoside
GD058112
Name:
NoneFormula:
C12H17O9N3Smiles:
O=[N+]([O-])c1ccc(N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1Aglycone:
O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 347.28 | Num_heavy_atoms: | 24 |
| TPSA: | 199.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD29106
Formula: C8H9O5N3
Smiles:
O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 227.18 | Num_heavy_atoms: | 16 |
| TPSA: | 118.54 | NumAromaticRings: | 1 |
