Glycoside
GD078777
Name:
NoneFormula:
C17H17O6N5Smiles:
O=[N+]([O-])c1ccc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(Nc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.35 | Num_heavy_atoms: | 28 |
| TPSA: | 155.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD36207
Formula: C12H8O2N5
Smiles:
O=[N+]([O-])c1ccc(Nc2ncnc3c2C=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.23 | Num_heavy_atoms: | 19 |
| TPSA: | 95.05 | NumAromaticRings: | 2 |
