Chemical ID: 6424308

COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C=C5C2C(=O)OC5)OCO4
Chemical ID:
6424308
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C=C5C2C(=O)OC5)OCO4
InChi [?]:
InChI=1/C22H20O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h4-8,19-20H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,20,18,4,6,15,26,28,19,5,21,14,17,16,3,7,13,22,8,23,24,2,11,9,25,27,29/E:(1,2)(6,7)(17,18)(24,25)/rA:29cCOCCCCCCOCOCCCCCCCCCCCCOOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;s22;d23;s23;s21s25;s17;s27;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:4.46693
Area:546.268
Solvation:-9.18976
Coulombic:-55.0693
Bond Count [?]
All:33
Single:25
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.39
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.91
LogP (Chemaxon):2.26

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