Glycoside
GD022957
Name:
NoneFormula:
C13H16O6N4SSmiles:
NS(=O)(=O)c1ccc(-c2cn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.36 | Num_heavy_atoms: | 24 |
| TPSA: | 160.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD01018
Formula: C8H7O2N4S
Smiles:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.24 | Num_heavy_atoms: | 15 |
| TPSA: | 98.98 | NumAromaticRings: | 1 |
