Chemical ID: 4943461

COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)O)O)OC
Chemical ID:
4943461
Name [?]:
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,8-dimethoxy-chromen-4-one
SMILES [?]:
COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)O)O)OC
InChi [?]:
InChI=1/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,26,6,7,4,16,5,8,15,17,3,14,12,10,18,19,11,9,24,23,13,2,21,25,20/rA:26nCOCCCCCCOCCCOCCCCCCOOCOOOC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O8
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.6999
Area:523.882
Solvation:-9.39715
Coulombic:-84.489
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.315
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.64
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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