Glycoside
GD003171
Name:
NoneFormula:
C22H24O10Smiles:
COc1cccc(C(=O)CC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O)c1Aglycone:
COc1cccc(C(=O)CC(=O)c2ccc(O)cc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD02904
Formula: C16H14O5
Smiles:
COc1cccc(C(=O)CC(=O)c2ccc(O)cc2O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
