Glycoside
GD073540
Name:
NoneFormula:
C12H16O6NSBrSmiles:
O=C(NCCc1cc(Br)cs1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCCc1cc(Br)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.23 | Num_heavy_atoms: | 21 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD34072
Formula: C6H8NSBr
Smiles:
NCCc1cc(Br)cs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.11 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
