Glycoside
GD147833
Name:
IsoligustrosideFormula:
C25H32O12Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCAglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD53756
Formula: C19H22O7
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
