Glycoside
GD147353
Name:
6-O-(4-Methoxybenzoyl)-AjugolFormula:
C23H30O11Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc1Aglycone:
COc1ccc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.48 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD59016
Formula: C17H20O6
Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
