Glycoside
GD131239
Name:
2-(4-bromophenoxy)-6-(iodomethyl)oxane-3,4,5-triolFormula:
C12H14O5BrISmiles:
OC1C(CI)OC(Oc2ccc(Br)cc2)C(O)C1OAglycone:
Oc1ccc(Br)cc1Sugarmoiety:
OC1OC(CI)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 445.05 | Num_heavy_atoms: | 19 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD08767
Formula: C6H5OBr
Smiles:
Oc1ccc(Br)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 173.01 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
