Glycoside
GD134093
Name:
Sophodibenzoside EFormula:
C26H30O14Smiles:
COc1ccc(C(=O)C(=O)c2ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc2O)cc1Aglycone:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD50375
Formula: C15H12O5
Smiles:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
