Glycoside
GD115722
Name:
3,4,2',4',6',Beta-Hexahydroxychalcone 2'-GlucosideFormula:
C21H22O12Smiles:
O=C(C=C(O)c1ccc(O)c(O)c1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(C=C(O)c1ccc(O)c(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 217.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45834
Formula: C15H12O7
Smiles:
O=C(C=C(O)c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
