Chemical ID: 5580745

CC(=C)C1Cc2c(cc(c3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)OC(=O)C)O1
Chemical ID:
5580745
Name [?]:
None
SMILES [?]:
CC(=C)C1Cc2c(cc(c3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)OC(=O)C)O1
InChi [?]:
InChI=1/C25H24O8/c1-11(2)15-7-14-17(32-15)9-20(31-12(3)26)23-24(27)22-13-6-18(28-4)19(29-5)8-16(13)30-10-21(22)33-25(14)23/h6,8-9,15,21-22H,1,7,10H2,2-5H3
InChi Info:
AuxInfo=1/0/N:3,1,32,26,28,20,5,17,8,14,2,30,21,6,4,16,7,19,18,9,13,22,10,23,11,31,24,25,27,15,29,33,12/rA:33cCCCCCCCCCCCOCCOCCCCCCCCOOCOCOCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;s10s22;d23;s19;s25;s18;s27;s9;s29;d30;s30;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24O8
All Atoms:33
Heavy Atoms:33
Chiral Atoms:3
ZAP Information [?]
Total:7.73939
Area:637.857
Solvation:-8.20703
Coulombic:-61.2696
Bond Count [?]
All:37
Single:28
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:452.453
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.31
LogP (Chemaxon):2.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue