Glycoside
GD133172
Name:
6-Feruloyl AjugolFormula:
C25H32O12Smiles:
COc1cc(C=CC(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)ccc1OAglycone:
COc1cc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD53912
Formula: C19H22O7
Smiles:
COc1cc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
