Glycoside
GD040436
Name:
4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranosideFormula:
C17H23O11NSSmiles:
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CS[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
OC1COC(SCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.43 | Num_heavy_atoms: | 30 |
| TPSA: | 192.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
