Glycoside
GD113805
Name:
NoneFormula:
C32H31O4BrSmiles:
CO[C@@H]1C[C@@H](OCc2ccc(Br)cc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1ccc(Br)cc1Sugarmoiety:
COC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 559.5 | Num_heavy_atoms: | 37 |
| TPSA: | 36.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD44831
Formula: C7H7OBr
Smiles:
OCc1ccc(Br)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.04 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
