Glycoside
GD026809
Name:
NoneFormula:
C17H18O5N4Smiles:
Cc1ccc(-c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(C2=Nc3c(nc[nH]c3=O)[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 133.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD17653
Formula: C12H9ON4
Smiles:
Cc1ccc(C2=Nc3c(nc[nH]c3=O)[N]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 72.21 | NumAromaticRings: | 2 |
