Glycoside
GD047949
Name:
NoneFormula:
C14H17O6N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3nnco3)cc2)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc(-c2nnco2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 141.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD07857
Formula: C8H7ON3
Smiles:
Nc1ccc(-c2nnco2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 64.94 | NumAromaticRings: | 2 |
