Glycoside
GD003821
Name:
NoneFormula:
C19H20O6N8Smiles:
Nc1nc(NN=CC=Cc2ccccc2[N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=CC=Cc2ccccc2[N+](=O)[O-])nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.42 | Num_heavy_atoms: | 33 |
| TPSA: | 207.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD03415
Formula: C14H11O2N8
Smiles:
Nc1nc(NN=CC=Cc2ccccc2[N+](=O)[O-])nc2c1N=C[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.3 | Num_heavy_atoms: | 24 |
| TPSA: | 145.79 | NumAromaticRings: | 2 |
