Glycoside
GD116878
Name:
Piceid 2'-O-4-HydroxybenzoateFormula:
C27H26O10Smiles:
O=C(OC1C(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)OC(CO)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 166.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
