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Chemical ID: 6919366
Chemical ID:
6919366
Name [?]:
None
SMILES [?]:
CC1(C=Cc2c(ccc3c2OC4COc5cc6c(cc5C4C3=O)OCO6)O1)C
InChi [?]:
InChI=1/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,8,7,4,3,19,16,13,25,5,9,20,6,15,18,17,12,21,22,10,2,23,14,24,26,11,27/E:(1,2)/rA:28cCCCCCCCCCCOCCOCCCCCCCCOOCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s9s21;d22;s18;s24;s17s25;s2s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O6 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.09836 |
Area: | 531.39 |
Solvation: | -5.18638 |
Coulombic: | -48.2833 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 378.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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