Chemical ID: 4941981

Cc1cc2cccc(c2c(c1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O
Chemical ID:
4941981
Name [?]:
1-[1-hydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone
SMILES [?]:
Cc1cc2cccc(c2c(c1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O
InChi [?]:
InChI=1/C19H22O8/c1-8-6-10-4-3-5-11(14(10)16(23)13(8)9(2)21)26-19-18(25)17(24)15(22)12(7-20)27-19/h3-6,12,15,17-20,22-25H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,5,7,3,23,2,12,4,8,21,11,9,20,10,19,18,17,24,13,25,15,26,27,16,22/rA:27cCCCCCCCCCCCCOCOOCCCCCOCOOOO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;d12;s12;s10;s8;s16;s17;s18;s19;s20;s17s21;s21;s23;s20;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O8
All Atoms:27
Heavy Atoms:27
Chiral Atoms:5
ZAP Information [?]
Total:4.46063
Area:546.901
Solvation:-9.21189
Coulombic:-106.884
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.373
H-Bond Donors:5
H-Bond Acceptors:8
XLogP:1.45
LogP (Chemaxon):1.44

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Descriptor Annotations

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