Glycoside
GD137791
Name:
3-[(4-hydroxyphenyl)methylidene]-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-oneFormula:
C22H22O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1C(=Cc1ccc(O)cc1)C(=O)O2Aglycone:
COc1cc(O)cc2c1C(=Cc1ccc(O)cc1)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD55651
Formula: C16H12O5
Smiles:
COc1cc(O)cc2c1C(=Cc1ccc(O)cc1)C(=O)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
