Chemical ID: 3966810

Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O
Chemical ID:
3966810
Name [?]:
7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde
SMILES [?]:
Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O
InChi [?]:
InChI=1/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
InChi Info:
AuxInfo=1/0/N:11,12,31,32,1,37,3,21,15,35,10,30,2,20,4,22,6,26,9,29,18,19,5,23,7,27,17,24,8,28,16,36,14,34,38,25,13,33/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38nCCCCCCCCCCCCOOCOCCCCCCCCOCCCCCCCOOCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s4d8;s9;s10;s10;s8;s7;s6;d15;d5;d2s17;s18;s19;d20;s21;s22;d19s23;s24;d23;s26;d27;d22s28;s29;s30;s30;s28;s27;s26;d35;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30O8
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:8.25175
Area:705.615
Solvation:-9.38863
Coulombic:-109.385
Bond Count [?]
All:41
Single:29
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:518.554
H-Bond Donors:6
H-Bond Acceptors:8
XLogP:3.77
LogP (Chemaxon):8.0

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