Glycoside
GD009952
Name:
NoneFormula:
C18H22O4N6Smiles:
Cc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
Cc1cccc(CNC2=Nc3c(N)ncnc3[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD07745
Formula: C13H13N6
Smiles:
Cc1cccc(CNC2=Nc3c(N)ncnc3[N]2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
