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Chemical ID: 5581099
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
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Experimental Annotations
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Descriptor Annotations
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