Glycoside
GD009493
Name:
6-O-(4-Hydroxybenzoyl)-6-EpiaucubinFormula:
C22H26O11Smiles:
O=C(O[C@@H]1C=C(CO)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@H]12)c1ccc(O)cc1Aglycone:
O=C(OC1C=C(CO)C2C(O)OC=CC12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD07439
Formula: C16H16O6
Smiles:
O=C(OC1C=C(CO)C2C(O)OC=CC12)c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
