Glycoside
GD088568
Name:
NoneFormula:
C13H18O8NSBrSmiles:
COc1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Br)c1Aglycone:
COc1ccc(S(N)(=O)=O)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.26 | Num_heavy_atoms: | 24 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD38751
Formula: C7H8O3NSBr
Smiles:
COc1ccc(S(N)(=O)=O)c(Br)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.12 | Num_heavy_atoms: | 13 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
