Chemical ID: 4943458

COc1c(=O)c2c(cc(c(c2oc1c3ccc(c(c3)O)O)O)O)O
Chemical ID:
4943458
Name [?]:
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-chromen-4-one
SMILES [?]:
COc1c(=O)c2c(cc(c(c2oc1c3ccc(c(c3)O)O)O)O)O
InChi [?]:
InChI=1/C16H12O8/c1-23-16-13(22)11-9(19)5-10(20)12(21)15(11)24-14(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,19,8,14,17,18,7,9,6,10,4,13,11,3,21,20,24,23,22,5,2,12/rA:24nCOCCOCCCCCCOCCCCCCCOOOOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d3s12;s13;s14;d15;s16;d17;d14s18;s18;s17;s10;s9;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O8
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.81302
Area:492.539
Solvation:-8.50046
Coulombic:-101.846
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.262
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-0.26
LogP (Chemaxon):2.59

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Descriptor Annotations

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