Glycoside
GD109564
Name:
NoneFormula:
C24H23O8N7S2Smiles:
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2nc(SCc3ccc([N+](=O)[O-])cc3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C(SCc1ccc([N+](=O)[O-])cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.62 | Num_heavy_atoms: | 41 |
| TPSA: | 225.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD44555
Formula: C19H14O4N7S2
Smiles:
Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C(SCc1ccc([N+](=O)[O-])cc1)[N]2| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 164.54 | NumAromaticRings: | 3 |
