Glycoside
GD144343
Name:
3,4-Dihydro-3-Hydroxyaucubigenin; 3β-Form, 3-Me Ether, 10-O-(4-Hydroxybenzoyl), 1-O-β-D-GlucopyranosideFormula:
C23H30O12Smiles:
COC1CC2C(O)C=C(COC(=O)c3ccc(O)cc3)C2C(OC2OC(CO)C(O)C(O)C2O)O1Aglycone:
COC1CC2C(O)C=C(COC(=O)c3ccc(O)cc3)C2C(O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD58008
Formula: C17H20O7
Smiles:
COC1CC2C(O)C=C(COC(=O)c3ccc(O)cc3)C2C(O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
