Glycoside
GD004834
Name:
1-[3-(3-methoxy-3-methylbut-1-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]ethan-1-oneFormula:
C20H28O8Smiles:
COC(C)(C)C=Cc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)(C)C=Cc1cc(C(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD04173
Formula: C14H18O3
Smiles:
COC(C)(C)C=Cc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
