Chemical ID: 6424292

COc1ccc(cc1OC)c2cc(=O)c3c(c(c(c(c3o2)OC)OC)OC)O
Chemical ID:
6424292
Name [?]:
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1OC)c2cc(=O)c3c(c(c(c(c3o2)OC)OC)OC)O
InChi [?]:
InChI=1/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,27,23,25,5,4,7,12,6,13,3,11,8,15,16,20,17,19,18,14,28,2,9,26,22,24,21/rA:28nCOCCCCCCOCCCCOCCCCCCOOCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;s19;s22;s18;s24;s17;s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O8
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.0298
Area:566.87
Solvation:-10.142
Coulombic:-66.1729
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.368
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.13
LogP (Chemaxon):2.72

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Descriptor Annotations

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