Glycoside
GD005506
Name:
1-(2-hydroxy-6-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C15H20O9Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(C)=OAglycone:
COc1cc(O)cc(O)c1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD04676
Formula: C9H10O4
Smiles:
COc1cc(O)cc(O)c1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
