Glycoside
GD034734
Name:
NoneFormula:
C12H13O6N3Smiles:
O=[N+]([O-])c1ccc2cn(C3OC(CO)C(O)C3O)nc2c1Aglycone:
O=[N+]([O-])c1ccc2c(c1)=N[N]C=2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.25 | Num_heavy_atoms: | 21 |
| TPSA: | 130.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD22047
Formula: C7H4O2N3
Smiles:
O=[N+]([O-])c1ccc2c(c1)=N[N]C=2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.13 | Num_heavy_atoms: | 12 |
| TPSA: | 69.6 | NumAromaticRings: | 1 |
