ChemDB: Chemical Search
Download
Chemical ID: 5580745
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.
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 |
---|