Chemical ID: 5150720

c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Chemical ID:
5150720
Name [?]:
5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
SMILES [?]:
c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
InChi [?]:
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,15,8,25,6,3,14,12,9,7,16,23,11,22,21,20,19,26,31,30,10,27,28,29,18,17,24/E:(1,2)(3,4)/rA:31cCCCCCCCCCOCCCCCCOOCCCCCOCOOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s18;s19;s20;s21;s22;s19s23;s23;s25;s22;s21;s20;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O10
All Atoms:31
Heavy Atoms:31
Chiral Atoms:6
ZAP Information [?]
Total:4.96126
Area:616.776
Solvation:-10.4581
Coulombic:-129.985
Bond Count [?]
All:34
Single:27
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:434.393
H-Bond Donors:6
H-Bond Acceptors:10
XLogP:-0.17
LogP (Chemaxon):1.17

Name Annotations

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Descriptor Annotations

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