Glycoside
GD023003
Name:
IsosalipurposideFormula:
C21H22O10Smiles:
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD15519
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
