Glycoside

GD125730
Name:
6''-O-AcetylliquiritinFormula:
C23H24O10Smiles:
CC(=O)OCC1OC(Oc2ccc(C3CC(=O)c4ccc(O)cc4O3)cc2)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.39 |
AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
MolWt: | 460.44 | Num_heavy_atoms: | 33 |
TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04055
Formula: C15H12O4
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21HBA: | 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 |