Glycoside
GD095959
Name:
2'-AcetylsalicortinFormula:
C22H26O11Smiles:
CC(=O)O[C@H]1[C@H](Oc2ccccc2COC(=O)[C@@]2(O)C=CCCC2=O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
