Chemical ID: 6693849

CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
Chemical ID:
6693849
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChi [?]:
InChI=1/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,21,22,3,6,23,14,2,25,19,7,4,11,10,12,9,5,13,26,20,8,17,24,15,18,16/rA:27cCCCCCCCOCCCCCCOOOOCOCCCOCOC/rB:s1;d2;s3;s4;s5;s2s6;s7;s5;s9;s10;s11;s9s12;s13;s13s14;s4s12;s11;s10;s18;d19;s19;s9;s5;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26O8
All Atoms:27
Heavy Atoms:27
Chiral Atoms:8
ZAP Information [?]
Total:5.76192
Area:531.031
Solvation:-7.51384
Coulombic:-84.9167
Bond Count [?]
All:30
Single:27
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.405
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-0.38
LogP (Chemaxon):-0.64

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Descriptor Annotations

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