Glycoside
GD132025
Name:
Sophodibenzoside CFormula:
C21H22O11Smiles:
COc1ccc(C(=O)C(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1OAglycone:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD14494
Formula: C15H12O6
Smiles:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
