Chemical ID: 5241441

Cc1cc2cc(cc(c2c(c1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)O
Chemical ID:
5241441
Name [?]:
1-[1,6-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone
SMILES [?]:
Cc1cc2cc(cc(c2c(c1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)O
InChi [?]:
InChI=1/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,5,7,23,2,12,4,6,8,21,11,9,20,10,19,18,17,24,13,28,25,15,26,27,16,22/rA:28cCCCCCCCCCCCCOCOOCCCCCOCOOOOO/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;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O9
All Atoms:28
Heavy Atoms:28
Chiral Atoms:5
ZAP Information [?]
Total:3.90431
Area:560.2
Solvation:-10.1007
Coulombic:-121.571
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:394.373
H-Bond Donors:6
H-Bond Acceptors:9
XLogP:0.62
LogP (Chemaxon):1.16

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Descriptor Annotations

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