Chemical ID: 5581099

COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)O)O)O
Chemical ID:
5581099
Name [?]:
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-8-methoxy-chromen-4-one
SMILES [?]:
COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)O)O)O
InChi [?]:
InChI=1/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,6,7,4,16,5,8,15,17,3,14,12,11,10,18,19,9,24,23,13,25,2,21,20/rA:25nCOCCCCCCOCCCOCCCCCCOOCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s18;s21;s17;s15;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O8
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.36651
Area:508.62
Solvation:-9.34898
Coulombic:-92.4966
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.288
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.75
LogP (Chemaxon):3.28

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