Chemical ID: 5581470

COc1cc(cc(c1OC)O)c2c(c(=O)c3c(o2)cc(c(c3O)O)OC)OC
Chemical ID:
5581470
Name [?]:
5,6-dihydroxy-2-(3-hydroxy-4,5-dimethoxy-phenyl)-3,7-dimethoxy-chromen-4-one
SMILES [?]:
COc1cc(cc(c1OC)O)c2c(c(=O)c3c(o2)cc(c(c3O)O)OC)OC
InChi [?]:
InChI=1/C19H18O9/c1-24-11-7-10-13(15(22)14(11)21)16(23)19(27-4)17(28-10)8-5-9(20)18(26-3)12(6-8)25-2/h5-7,20-22H,1-4H3
InChi Info:
AuxInfo=1/0/N:26,1,10,28,6,4,19,5,7,17,20,3,16,21,22,14,12,8,13,11,24,23,15,25,2,9,27,18/rA:28nCOCCCCCCOCOCCCOCCOCCCCOOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s5;d12;s13;d14;s14;s16;s12s17;d17;s19;d20;d16s21;s22;s21;s20;s25;s13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O9
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:3.27429
Area:568.142
Solvation:-10.9293
Coulombic:-90.9948
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.341
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.71
LogP (Chemaxon):2.41

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