Glycoside
GD002919
Name:
NoneFormula:
C17H18O4N4Smiles:
OC[C@@H]1O[C@H](n2cnc3c(Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(Cc3ccccc3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.36 | Num_heavy_atoms: | 25 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD02720
Formula: C12H9N4
Smiles:
C1=Nc2c(Cc3ccccc3)ncnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.23 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
