Glycoside
GD040103
Name:
1-O-Sinapoyl-Beta-D-GlucoseFormula:
C17H22O10Smiles:
COc1cc(C=CC(=O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.35 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
