Glycoside
GD001306
Name:
NoneFormula:
C25H23O8N3Smiles:
O=[N+]([O-])c1ccc2c(Nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccccc3nc2c1Aglycone:
O=[N+]([O-])c1ccc2c(Nc3ccc(O)cc3)c3ccccc3nc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 493.47 | Num_heavy_atoms: | 36 |
| TPSA: | 167.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD01341
Formula: C19H13O3N3
Smiles:
O=[N+]([O-])c1ccc2c(Nc3ccc(O)cc3)c3ccccc3nc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.33 | Num_heavy_atoms: | 25 |
| TPSA: | 88.29 | NumAromaticRings: | 4 |
