Glycoside
GD018344
Name:
NoneFormula:
C11H13O4SBrSmiles:
OC1O[C@H](CSc2ccc(Br)cc2)[C@H](O)[C@H]1OAglycone:
CSc1ccc(Br)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.19 | Num_heavy_atoms: | 17 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD12959
Formula: C7H7SBr
Smiles:
CSc1ccc(Br)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.1 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
