Glycoside
GD058114
Name:
NoneFormula:
C12H17O9N3Smiles:
O=[N+]([O-])c1ccc(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1Aglycone:
CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]Sugarmoiety:
OCC(O)C(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
AD29103
Formula: C7H7O4N3
Smiles:
CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.15 | Num_heavy_atoms: | 14 |
| TPSA: | 98.31 | NumAromaticRings: | 1 |
