Glycoside
GD023012
Name:
NoneFormula:
C13H16O8N2Smiles:
O=[N+]([O-])c1ccccc1C=NO[C@@H]1OC(CO)C(O)[C@H](O)C1OAglycone:
O=[N+]([O-])c1ccccc1C=NOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.28 | Num_heavy_atoms: | 23 |
| TPSA: | 154.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD15525
Formula: C7H6O3N2
Smiles:
O=[N+]([O-])c1ccccc1C=NO| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 75.73 | NumAromaticRings: | 1 |
