Glycoside
GD126180
Name:
Liquiritigenin 7-(3-Acetylapiofuranoside)-4'-GlucosideFormula:
C28H32O14Smiles:
CC(=O)OC1(CO)COC(Oc2ccc3c(c2)OC(c2ccc(OC4OC(CO)C(O)C(O)C4O)cc2)CC3=O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21Sugarmoiety:
CC(=O)OC1(CO)COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD04055
Formula: C15H12O4
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
