Glycoside
GD121558
Name:
3,4',6'-Trihydroxy-4,2'-Dimethoxychalcone 4'-O-RutinosideFormula:
C29H36O15Smiles:
COc1ccc(C=CC(=O)c2c(O)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc2OC)cc1OAglycone:
COc1ccc(C=CC(=O)c2c(O)cc(O)cc2OC)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD48940
Formula: C17H16O6
Smiles:
COc1ccc(C=CC(=O)c2c(O)cc(O)cc2OC)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
