Glycoside
GD026248
Name:
NoneFormula:
C20H19O5N3Smiles:
Cc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 381.39 | Num_heavy_atoms: | 28 |
| TPSA: | 113.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD17315
Formula: C15H10ON3
Smiles:
Cc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.27 | Num_heavy_atoms: | 19 |
| TPSA: | 53.02 | NumAromaticRings: | 3 |
