Glycoside
GD139856
Name:
2-[3,5-dihydroxy-2-(4-hydroxy-3-methoxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O11Smiles:
COc1cc(C(=O)c2c(O)cc(O)cc2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)c2c(O)cc(O)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD56404
Formula: C14H12O6
Smiles:
COc1cc(C(=O)c2c(O)cc(O)cc2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
