Glycoside
GD129331
Name:
Ligustaloside BFormula:
C25H32O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(CC=O)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(CC=O)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD52396
Formula: C19H22O8
Smiles:
COC(=O)C1=COC(O)C(CC=O)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
