Glycoside
GD082842
Name:
NoneFormula:
C13H18O7NSBrSmiles:
Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
Cc1cc(Br)ccc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.26 | Num_heavy_atoms: | 23 |
| TPSA: | 144.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD36582
Formula: C7H8O2NSBr
Smiles:
Cc1cc(Br)ccc1S(N)(=O)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.12 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
