Glycoside
GD037506
Name:
NoneFormula:
C18H18O4N5ClSmiles:
Cc1cc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc(N)c23)ccc1ClAglycone:
Cc1cc(C2=N[N]c3ncnc(N)c32)ccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.82 | Num_heavy_atoms: | 27 |
| TPSA: | 139.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD23618
Formula: C13H9N5Cl
Smiles:
Cc1cc(C2=N[N]c3ncnc(N)c32)ccc1Cl| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
