Chemical ID: 3968117

c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Chemical ID:
3968117
Name [?]:
1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)-propan-1-one
SMILES [?]:
c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24O10
All Atoms:31
Heavy Atoms:31
Chiral Atoms:5
ZAP Information [?]
Total:5.30505
Area:631.879
Solvation:-10.4919
Coulombic:-138.458
Bond Count [?]
All:33
Single:26
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:436.409
H-Bond Donors:7
H-Bond Acceptors:10
XLogP:0.21
LogP (Chemaxon):1.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue