Glycoside
GD092198
Name:
NoneFormula:
C16H18O9N6Smiles:
Cc1c(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]Aglycone:
Cc1c(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])cc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.35 | Num_heavy_atoms: | 31 |
| TPSA: | 229.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD40242
Formula: C11H9O5N6
Smiles:
Cc1c(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])cc1[N+](=O)[O-]| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.23 | Num_heavy_atoms: | 22 |
| TPSA: | 167.86 | NumAromaticRings: | 1 |
