Glycoside
GD022870
Name:
NoneFormula:
C22H20O6N5FSmiles:
OC[C@@H]1OC(O)[C@H](n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)o3)nn2)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2nc(C3=C[N]N=N3)oc2-c2ccncc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.43 | Num_heavy_atoms: | 34 |
| TPSA: | 159.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD04042
Formula: C16H9ON5F
Smiles:
Fc1ccc(-c2nc(C3=C[N]N=N3)oc2-c2ccncc2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.28 | Num_heavy_atoms: | 23 |
| TPSA: | 77.74 | NumAromaticRings: | 3 |
