Glycoside
GD031508
Name:
NoneFormula:
C11H13O5N5Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ncnc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.25 | Num_heavy_atoms: | 21 |
| TPSA: | 142.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
