Glycoside
GD034773
Name:
NoneFormula:
C11H11O6N6ClSmiles:
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@H](O)[C@H]1OAglycone:
CO[N+](=O)[O-].Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.69 | Num_heavy_atoms: | 23 |
| TPSA: | 171.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09658
Formula: CH3O3N
Smiles:
CO[N+](=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 77.04 | Num_heavy_atoms: | 5 |
| TPSA: | 52.37 | NumAromaticRings: | 0 |
