Glycoside
GD018812
Name:
Thunberginol F 7-O-Beta-D-GlucopyranosideFormula:
C21H20O10Smiles:
O=C1OC(=Cc2ccc(O)c(O)c2)c2cccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c21Aglycone:
O=C1OC(=Cc2ccc(O)c(O)c2)c2cccc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD13200
Formula: C15H10O5
Smiles:
O=C1OC(=Cc2ccc(O)c(O)c2)c2cccc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
