Glycoside
GD049998
Name:
NoneFormula:
C13H17O5N5Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(-n3ccnc3)nn2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc(-n2ccnc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 145.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD26453
Formula: C7H7N5
Smiles:
Nc1ccc(-n2ccnc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.17 | Num_heavy_atoms: | 12 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
