Glycoside
GD130143
Name:
6-(4-bromophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C12H13O7BrSmiles:
O=C(O)C1OC(Oc2ccc(Br)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(Br)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.13 | Num_heavy_atoms: | 20 |
| TPSA: | 116.45 | 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 |
