Chemical ID: 3965623

COc1c(cc2c(c1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
Chemical ID:
3965623
Name [?]:
None
SMILES [?]:
COc1c(cc2c(c1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
InChi [?]:
InChI=1/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,16,6,4,14,7,13,8,12,3,10,11,21,17,23,18,9,19,22,2,15,20/rA:23cCOCCCCCCOCCCCCOCOOOOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s11;s12;s13;s10s14;s14;s16;s13;s12;s11;s6s20;d21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O9
All Atoms:23
Heavy Atoms:23
Chiral Atoms:5
ZAP Information [?]
Total:0.107751
Area:461.886
Solvation:-11.4394
Coulombic:-112.688
Bond Count [?]
All:25
Single:21
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.271
H-Bond Donors:5
H-Bond Acceptors:9
XLogP:-0.88
LogP (Chemaxon):-0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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