Glycoside
GD022111
Name:
NoneFormula:
C15H20O5N4Smiles:
CO[C@@H]1O[C@H](Cn2cc(-c3ccc(N)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(-c2ccc(N)cc2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.35 | Num_heavy_atoms: | 24 |
| TPSA: | 135.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD15028
Formula: C9H10N4
Smiles:
Cn1cc(-c2ccc(N)cc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 56.73 | NumAromaticRings: | 2 |
