Glycoside
GD135969
Name:
1-(2,6-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C16H22O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(OC)c1C(C)=OAglycone:
COc1cc(O)cc(OC)c1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD54965
Formula: C10H12O4
Smiles:
COc1cc(O)cc(OC)c1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
