Glycoside
GD011163
Name:
NoneFormula:
C22H26O9Smiles:
Cc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O)cc1Aglycone:
Cc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD08556
Formula: C16H16O4
Smiles:
Cc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
