Glycoside
GD003100
Name:
ACERATIOSIDEFormula:
C17H22O9Smiles:
O=C(O)[C@@H]1CCc2c(cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1Aglycone:
O=C(O)C1CCc2c(O)cc(O)cc2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD02854
Formula: C11H12O4
Smiles:
O=C(O)C1CCc2c(O)cc(O)cc2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
