Chemical ID: 6424251

CC1C(C(C(C(O1)Oc2cc(c3c(c2)OC(C(C3=O)O)c4ccc(cc4)O)O)O)O)O
Chemical ID:
6424251
Name [?]:
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-chroman-4-one
SMILES [?]:
CC1C(C(C(C(O1)Oc2cc(c3c(c2)OC(C(C3=O)O)c4ccc(cc4)O)O)O)O)O
InChi [?]:
InChI=1/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17-24,26-28H,1H3
InChi Info:
AuxInfo=1/0/N:1,22,26,23,25,10,14,2,21,24,9,11,13,12,3,18,4,17,5,16,6,27,28,31,19,30,20,29,7,8,15/E:(2,3)(4,5)/rA:31cCCCCCCOOCCCCCCOCCCOOCCCCCCOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;d18;s17;s16;s21;d22;s23;d24;d21s25;s24;s11;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O10
All Atoms:31
Heavy Atoms:31
Chiral Atoms:7
ZAP Information [?]
Total:3.85471
Area:610.357
Solvation:-11.4042
Coulombic:-129.338
Bond Count [?]
All:34
Single:27
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:434.393
H-Bond Donors:6
H-Bond Acceptors:10
XLogP:0.42
LogP (Chemaxon):1.53

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Descriptor Annotations

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