Glycoside
GD002031
Name:
NoneFormula:
C12H16O9N6Smiles:
Nc1c(C(=O)NC(CN([O-])N=O)C(=O)[O-])ncn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
NC1=C(C(=O)NC(CN([O-])N=O)C(=O)[O-])N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.29 | Num_heavy_atoms: | 27 |
| TPSA: | 238.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD01974
Formula: C7H7O5N6
Smiles:
NC1=C(C(=O)NC(CN([O-])N=O)C(=O)[O-])N=C[N]1| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 255.17 | Num_heavy_atoms: | 18 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
