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Chemical ID: 5581470
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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