Glycoside
GD012898
Name:
NoneFormula:
C20H20O5N4Smiles:
CNc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 125.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD09686
Formula: C15H11ON4
Smiles:
CNc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.28 | Num_heavy_atoms: | 20 |
| TPSA: | 65.05 | NumAromaticRings: | 3 |
