Glycoside
GD085030
Name:
NoneFormula:
C16H19O8N5Smiles:
COc1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]Aglycone:
COc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.36 | Num_heavy_atoms: | 29 |
| TPSA: | 195.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD38066
Formula: C11H10O4N5
Smiles:
COc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1[N+](=O)[O-]| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.23 | Num_heavy_atoms: | 20 |
| TPSA: | 133.95 | NumAromaticRings: | 1 |
