Glycoside
GD020688
Name:
Fraxiresinol-4'-O-Beta-D-GlucosideFormula:
C27H34O13Smiles:
COc1cc([C@@H]2OC[C@]3(O)[C@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD14249
Formula: C21H24O8
Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
