Glycoside
GD085856
Name:
NoneFormula:
C17H14O7N5ClSmiles:
O=[N+]([O-])c1cc(Cl)ccc1Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1cc(Cl)ccc1Oc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.77 | Num_heavy_atoms: | 29 |
| TPSA: | 165.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD38233
Formula: C12H5O3N5Cl
Smiles:
O=[N+]([O-])c1cc(Cl)ccc1Oc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.65 | Num_heavy_atoms: | 20 |
| TPSA: | 104.61 | NumAromaticRings: | 2 |
