Glycoside
GD049976
Name:
NoneFormula:
C13H16O6N4Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc(-c3nnco3)ccn2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(-c2nnco2)ccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 153.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD26436
Formula: C7H6ON4
Smiles:
Nc1cc(-c2nnco2)ccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.83 | NumAromaticRings: | 2 |
