Glycoside
GD119139
Name:
2-(2-benzoyl-5-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O9Smiles:
COc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1C(=O)c1ccccc1Aglycone:
COc1cc(O)cc(O)c1C(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD47693
Formula: C14H12O4
Smiles:
COc1cc(O)cc(O)c1C(=O)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
