Glycoside
GD026145
Name:
NoneFormula:
C18H18O4N4Smiles:
OC[C@@H]1OC(n2cnc3c(C=Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(=Cc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.37 | Num_heavy_atoms: | 26 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD17257
Formula: C13H9N4
Smiles:
C(=Cc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 221.24 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
