Glycoside
GD085439
Name:
ToringinFormula:
C21H20O9Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12Aglycone:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD21411
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
