ChemDB: Chemical Search
Download
Chemical ID: 4561779
Chemical ID:
4561779
Name [?]:
None
SMILES [?]:
CCCCCc1c(c(cc2c1Oc3cc(cc(c3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O
InChi [?]:
InChI=1/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:29,1,28,2,27,3,26,4,25,5,22,16,14,9,17,23,15,6,8,13,10,18,7,11,32,19,24,30,31,33,34,20,12,21/E:(30,31)/rA:34nCCCCCCCCCCCOCCCCCCCOOCCOCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s10s19;s17;s22;d23;s23;s25;s26;s27;s28;s15;s8;s7;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30O8 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8456 |
Area: | 710.726 |
Solvation: | -5.92259 |
Coulombic: | -92.7439 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 470.512 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 6.61 |
LogP (Chemaxon): | 6.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|