Glycoside
GD045728
Name:
NoneFormula:
C12H15O4N3Smiles:
OC[C@@H](O)[C@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1Aglycone:
c1ccc(-n2nccn2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.27 | Num_heavy_atoms: | 19 |
| TPSA: | 111.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD05614
Formula: C8H7N3
Smiles:
c1ccc(-n2nccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.17 | Num_heavy_atoms: | 11 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
