Glycoside
GD045680
Name:
NoneFormula:
C13H17O4N3Smiles:
OC[C@@H](O)[C@@H](O)[C@@H](O)c1cnn(Cc2ccccc2)n1Aglycone:
c1ccc(Cn2nccn2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 279.3 | Num_heavy_atoms: | 20 |
| TPSA: | 111.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD25275
Formula: C9H9N3
Smiles:
c1ccc(Cn2nccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |