Glycoside
GD121549
Name:
Syringin-4-O-Beta-GlucosideFormula:
C23H34O14Smiles:
COc1cc(CC=CO)cc(OC)c1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COc1cc(CC=CO)cc(OC)c1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.51 | Num_heavy_atoms: | 37 |
| TPSA: | 217.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD48934
Formula: C11H14O4
Smiles:
COc1cc(CC=CO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
