Glycoside
GD029678
Name:
NoneFormula:
C19H20O7N6SSmiles:
CC(=O)Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CC(=O)Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.47 | Num_heavy_atoms: | 33 |
| TPSA: | 185.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD19283
Formula: C14H11O3N6S
Smiles:
CC(=O)Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.35 | Num_heavy_atoms: | 24 |
| TPSA: | 124.48 | NumAromaticRings: | 2 |
