Glycoside
GD026287
Name:
NoneFormula:
C18H21O6N7Smiles:
Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.41 | Num_heavy_atoms: | 31 |
| TPSA: | 194.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD17337
Formula: C13H12O2N7
Smiles:
Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 133.43 | NumAromaticRings: | 2 |
