Glycoside
GD143945
Name:
3,4,2',3',4',6',Alpha-Heptahydroxychalcone 2'-GlucosideFormula:
C21H22O13Smiles:
O=C(C(O)=Cc1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(C(O)=Cc1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 237.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD57876
Formula: C15H12O8
Smiles:
O=C(C(O)=Cc1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 158.68 | NumAromaticRings: | 2 |
