Glycoside
GD134665
Name:
6-FeruloylcatalpolFormula:
C25H30O12Smiles:
COc1cc(C=CC(=O)C2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)ccc1OAglycone:
COc1cc(C=CC(=O)C2C3C=COC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD54472
Formula: C19H20O7
Smiles:
COc1cc(C=CC(=O)C2C3C=COC(O)C3C3(CO)OC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
