Glycoside
GD076501
Name:
NoneFormula:
C11H15O7N2SBrSmiles:
O=C[C@H](NS(=O)(=O)c1ccc(Br)cn1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NS(=O)(=O)c1ccc(Br)cn1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.22 | Num_heavy_atoms: | 22 |
| TPSA: | 157.05 | 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 |
