Glycoside
GD049431
Name:
NoneFormula:
C13H16O5N4Smiles:
OC[C@H]1O[C@H](O)[C@H](n2cc(-c3cccnc3)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=C(c2cccnc2)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD04563
Formula: C7H5N4
Smiles:
C1=C(c2cccnc2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.15 | Num_heavy_atoms: | 11 |
| TPSA: | 51.71 | NumAromaticRings: | 1 |
