Glycoside
GD040498
Name:
(1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitolFormula:
C12H15O7BrSmiles:
OC[C@H]1O[C@H](c2cc(O)c(Br)cc2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(O)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.15 | Num_heavy_atoms: | 20 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD19101
Formula: C6H5O2Br
Smiles:
Oc1ccc(O)c(Br)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 189.01 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
