Glycoside
GD014302
Name:
NoneFormula:
C17H18O8N6Smiles:
Nc1nc(O)c2c(n1)n(C1OC(CO)[C@H](O)[C@H]1O)c(=O)n2Cc1ccc([N+](=O)[O-])cc1Aglycone:
Nc1nc(O)c2c(n1)[nH]c(=O)n2Cc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.37 | Num_heavy_atoms: | 31 |
| TPSA: | 212.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD10536
Formula: C12H10O4N6
Smiles:
Nc1nc(O)c2c(n1)[nH]c(=O)n2Cc1ccc([N+](=O)[O-])cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.25 | Num_heavy_atoms: | 22 |
| TPSA: | 152.96 | NumAromaticRings: | 3 |
