Glycoside
GD131301
Name:
1-(3-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C15H20O8Smiles:
CC(=O)c1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1CAglycone:
CC(=O)c1cc(O)cc(O)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD53200
Formula: C9H10O3
Smiles:
CC(=O)c1cc(O)cc(O)c1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
