Glycoside
GD027189
Name:
1-[3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]ethan-1-oneFormula:
C19H26O7Smiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c1Aglycone:
CC(=O)c1ccc(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD17893
Formula: C13H16O2
Smiles:
CC(=O)c1ccc(O)c(CC=C(C)C)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
