Glycoside
GD085382
Name:
Pinocembrin 5-O-GlucosideFormula:
C21H22O9Smiles:
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c21Aglycone:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD07333
Formula: C15H12O4
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
