Glycoside
GD107491
Name:
NoneFormula:
C23H23O8N5SSmiles:
Cc1cc2nc3c(=O)n(Sc4ccc([N+](=O)[O-])cc4)c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c2cc1CAglycone:
Cc1cc2nc3c(=O)n(Sc4ccc([N+](=O)[O-])cc4)c(=O)nc-3n(C)c2cc1CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 529.53 | Num_heavy_atoms: | 37 |
| TPSA: | 193.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD44316
Formula: C19H15O4N5S
Smiles:
Cc1cc2nc3c(=O)n(Sc4ccc([N+](=O)[O-])cc4)c(=O)nc-3n(C)c2cc1C| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.16 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 409.43 | Num_heavy_atoms: | 29 |
| TPSA: | 112.92 | NumAromaticRings: | 2 |
