Glycoside
GD028663
Name:
1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-methylpropan-1-oneFormula:
C16H22O9Smiles:
CC(C)C(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OAglycone:
CC(C)C(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD18704
Formula: C10H12O4
Smiles:
CC(C)C(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
