Chemical ID: 6919366

CC1(C=Cc2c(ccc3c2OC4COc5cc6c(cc5C4C3=O)OCO6)O1)C
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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