Glycoside
GD021143
Name:
Sophodibenzoside BFormula:
C26H30O15Smiles:
COc1ccc(C(=O)C(=O)c2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc2O)cc1OAglycone:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 242.13 | 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 |
