Glycoside
GD026952
Name:
NoneFormula:
C17H18O7N6SSmiles:
Nc1nc(SCc2cc([N+](=O)[O-])ccc2O)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3cc([N+](=O)[O-])ccc3O)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.43 | Num_heavy_atoms: | 31 |
| TPSA: | 202.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD17742
Formula: C12H9O3N6S
Smiles:
Nc1nc2c(c(SCc3cc([N+](=O)[O-])ccc3O)n1)N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.31 | Num_heavy_atoms: | 22 |
| TPSA: | 141.63 | NumAromaticRings: | 2 |
