Glycoside
GD010452
Name:
NoneFormula:
C13H16O9NS2BrSmiles:
O=S(=O)(O)ON=C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(Br)cc1Aglycone:
O=S(=O)(O)ON=C(S)c1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.31 | Num_heavy_atoms: | 26 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD08066
Formula: C7H6O4NS2Br
Smiles:
O=S(=O)(O)ON=C(S)c1ccc(Br)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.17 | Num_heavy_atoms: | 15 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
