Glycoside
GD020596
Name:
NoneFormula:
C11H14O6NSBrSmiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1sccc1BrAglycone:
NC(=O)c1sccc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.21 | Num_heavy_atoms: | 20 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD14201
Formula: C5H4ONSBr
Smiles:
NC(=O)c1sccc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.06 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
