Glycoside
GD010296
Name:
NoneFormula:
C13H17O6N5Smiles:
Nc1ncnc2c1nc(CCC(=O)O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(CCC(=O)O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.31 | Num_heavy_atoms: | 24 |
| TPSA: | 176.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD07979
Formula: C8H8O2N5
Smiles:
Nc1ncnc2c1N=C(CCC(=O)O)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.18 | Num_heavy_atoms: | 15 |
| TPSA: | 115.56 | NumAromaticRings: | 1 |
