Glycoside
GD091183
Name:
NoneFormula:
C22H24O6N4Smiles:
Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.46 | Num_heavy_atoms: | 32 |
| TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD39748
Formula: C16H14ON4
Smiles:
Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(N)=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.32 | Num_heavy_atoms: | 21 |
| TPSA: | 73.8 | NumAromaticRings: | 3 |
