Glycoside
GD030602
Name:
NoneFormula:
C20H22O8Smiles:
O=C(O)c1cccc(-c2cccc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)c1Aglycone:
O=C(O)c1cccc(-c2cccc(CO)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD19800
Formula: C14H12O3
Smiles:
O=C(O)c1cccc(-c2cccc(CO)c2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
