Glycoside
GD020251
Name:
SINAPALDEHYDE GLUCOSIDEFormula:
C17H22O9Smiles:
COc1cc(C=CC=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC=O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD06436
Formula: C11H12O4
Smiles:
COc1cc(C=CC=O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
