Glycoside
GD085881
Name:
2-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]-5-methylcyclohexan-1-oneFormula:
C21H28O8Smiles:
COc1cc(/C=C2\CC[C@@H](C)CC2=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=C2CCC(C)CC2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD38239
Formula: C15H18O3
Smiles:
COc1cc(C=C2CCC(C)CC2=O)ccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
