Glycoside
GD035023
Name:
NoneFormula:
C12H16O5N4Smiles:
CCOc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCOc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD11617
Formula: C7H7ON4
Smiles:
CCOc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
