Glycoside
GD075006
Name:
NoneFormula:
C11H15O7N2SBrSmiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(Br)cn1Aglycone:
NS(=O)(=O)c1ccc(Br)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.22 | Num_heavy_atoms: | 22 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD34704
Formula: C5H5O2N2SBr
Smiles:
NS(=O)(=O)c1ccc(Br)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.08 | Num_heavy_atoms: | 11 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
