Glycoside
GD029508
Name:
O-NITRO-N6-BENZYLADENOSINEFormula:
C17H18O6N6Smiles:
O=[N+]([O-])c1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1ccccc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.37 | Num_heavy_atoms: | 29 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD04895
Formula: C12H9O2N6
Smiles:
O=[N+]([O-])c1ccccc1CNc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
