Glycoside
GD008155
Name:
NoneFormula:
C19H22O6N6SSmiles:
CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD06552
Formula: C14H13O2N6S
Smiles:
CCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 329.37 | Num_heavy_atoms: | 23 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
