Glycoside
GD097845
Name:
NoneFormula:
C12H13O7NSBr2Smiles:
O=C(NCC(=O)c1cc(Br)sc1Br)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCC(=O)c1cc(Br)sc1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 475.11 | Num_heavy_atoms: | 23 |
| TPSA: | 144.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD41630
Formula: C6H5ONSBr2
Smiles:
NCC(=O)c1cc(Br)sc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.99 | Num_heavy_atoms: | 11 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
