Glycoside
GD002734
Name:
NoneFormula:
C23H22O4N4Smiles:
Nc1ncnc2c1c(-c1ccc(-c3ccccc3)cc1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1ccc(-c3ccccc3)cc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 126.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD02575
Formula: C18H13N4
Smiles:
Nc1ncnc2c1C(c1ccc(-c3ccccc3)cc1)=C[N]2| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.33 | Num_heavy_atoms: | 22 |
| TPSA: | 65.9 | NumAromaticRings: | 3 |
