Glycoside
GD024107
Name:
NoneFormula:
C18H25O12SBrSmiles:
O=S(=O)(c1ccc(Br)cc1)[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=[S](=O)c1ccc(Br)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 545.36 | Num_heavy_atoms: | 32 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD16131
Formula: C6H4O2SBr
Smiles:
O=[S](=O)c1ccc(Br)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.07 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
