Glycoside
GD039546
Name:
4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranosideFormula:
C24H35O17NSSmiles:
O=[N+]([O-])c1ccc(OC2OC(CO)C(O)C(O[C@H]3O[C@H](CO)[C@H](O)[C@H](S[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)C2O)cc1Aglycone:
O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
OCC1OC(SC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 641.6 | Num_heavy_atoms: | 43 |
| TPSA: | 291.59 | 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 |
