Glycoside
GD055247
Name:
NoneFormula:
C16H19O6N3Smiles:
O=C(Nc1ccc(Cn2ccnc2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc(Cn2ccnc2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 349.34 | Num_heavy_atoms: | 25 |
| TPSA: | 144.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD28008
Formula: C10H11N3
Smiles:
Nc1ccc(Cn2ccnc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.22 | Num_heavy_atoms: | 13 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
