Glycoside
GD031317
Name:
NoneFormula:
C14H18O4N4Smiles:
OC[C@@H]1O[C@H](CCn2cc(-c3ccccn3)nn2)[C@H](O)[C@H]1OAglycone:
CCn1cc(-c2ccccn2)nn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.32 | Num_heavy_atoms: | 22 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD20189
Formula: C9H10N4
Smiles:
CCn1cc(-c2ccccn2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
