Glycoside
GD014479
Name:
GLUCOACETOSYRINGONEFormula:
C16H22O9Smiles:
COc1cc(C(C)=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C(C)=O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD10638
Formula: C10H12O4
Smiles:
COc1cc(C(C)=O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
