Glycoside
GD031131
Name:
NoneFormula:
C18H22O4N6Smiles:
C[C@H](Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(NC1=Nc2c(N)ncnc2[N]1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD20078
Formula: C13H13N6
Smiles:
CC(NC1=Nc2c(N)ncnc2[N]1)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
