Glycoside
GD001532
Name:
NoneFormula:
C22H23O12Smiles:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1OAglycone:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 479.41 | Num_heavy_atoms: | 34 |
| TPSA: | 200.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD01528
Formula: C16H13O7
Smiles:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 317.27 | Num_heavy_atoms: | 23 |
| TPSA: | 121.68 | NumAromaticRings: | 3 |
