Glycoside
GD078942
Name:
NoneFormula:
C21H22O4N4Smiles:
Cc1cc2nc3c([C@H](O)[C@H](O)[C@H](O)CO)nn(-c4ccccc4)c3nc2cc1CAglycone:
Cc1cc2nc3cnn(-c4ccccc4)c3nc2cc1CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.43 | Num_heavy_atoms: | 29 |
| TPSA: | 124.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD36251
Formula: C17H14N4
Smiles:
Cc1cc2nc3cnn(-c4ccccc4)c3nc2cc1C| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.33 | Num_heavy_atoms: | 21 |
| TPSA: | 43.6 | NumAromaticRings: | 4 |
