Glycoside
GD008925
Name:
NoneFormula:
C17H21O7BrSmiles:
COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1BrAglycone:
COc1ccc(C=CC(C)=O)cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.25 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD07068
Formula: C11H11O2Br
Smiles:
COc1ccc(C=CC(C)=O)cc1Br| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.11 | Num_heavy_atoms: | 14 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
