Glycoside
GD018108
Name:
NoneFormula:
C22H25O6BrSmiles:
C=CCO[C@@H]1[C@H](O)[C@H](Oc2ccc(Br)cc2)O[C@H](COCc2ccccc2)[C@H]1OAglycone:
COCc1ccccc1.Oc1ccc(Br)cc1Sugarmoiety:
C=CCOC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.34 | Num_heavy_atoms: | 29 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
