Glycoside
GD027274
Name:
NoneFormula:
C24H24O9N4Smiles:
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.48 | Num_heavy_atoms: | 37 |
| TPSA: | 190.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD17942
Formula: C18H13O4N4
Smiles:
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2=C[N]N=N2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.33 | Num_heavy_atoms: | 26 |
| TPSA: | 108.26 | NumAromaticRings: | 2 |
