Glycoside
GD027292
Name:
NoneFormula:
C16H20O8N4Smiles:
O=[N+]([O-])c1ccc(-n2cc(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=[N+]([O-])c1ccc(-n2cc(CCO)nn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.36 | Num_heavy_atoms: | 28 |
| TPSA: | 173.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD17952
Formula: C10H10O3N4
Smiles:
O=[N+]([O-])c1ccc(-n2cc(CCO)nn2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.21 | Num_heavy_atoms: | 17 |
| TPSA: | 94.08 | NumAromaticRings: | 2 |
