Glycoside
GD103607
Name:
NoneFormula:
C18H18O8N4SSmiles:
O=[N+]([O-])c1cccc(Oc2nc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc3ccsc23)c1Aglycone:
Nc1nc(Oc2cccc([N+](=O)[O-])c2)c2sccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.43 | Num_heavy_atoms: | 31 |
| TPSA: | 180.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD43831
Formula: C12H8O3N4S
Smiles:
Nc1nc(Oc2cccc([N+](=O)[O-])c2)c2sccc2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.29 | Num_heavy_atoms: | 20 |
| TPSA: | 104.17 | NumAromaticRings: | 3 |
