Glycoside
GD033405
Name:
NoneFormula:
C14H15O9N5Smiles:
O=[N+]([O-])c1cc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)n2)cc([N+](=O)[O-])c1Aglycone:
O=[N+]([O-])c1cc(-c2nc[nH]n2)cc([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.3 | Num_heavy_atoms: | 28 |
| TPSA: | 218.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD21316
Formula: C8H5O4N5
Smiles:
O=[N+]([O-])c1cc(-c2nc[nH]n2)cc([N+](=O)[O-])c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.16 | Num_heavy_atoms: | 17 |
| TPSA: | 127.85 | NumAromaticRings: | 2 |
