Glycoside
GD027751
Name:
3'-(3-Methyl-2-Butenyl)-4'-O-Beta-D-Glucopyranosyl-4,2'-DihydroxychalconeFormula:
C26H30O9Smiles:
CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc(C(=O)C=Cc2ccc(O)cc2)c1OAglycone:
CC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.52 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD18205
Formula: C20H20O4
Smiles:
CC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.38 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
