Glycoside
GD123625
Name:
2-{3-[2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O9Smiles:
OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD03582
Formula: C14H12O4
Smiles:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
