Chemical ID: 7611532

COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5CC(OC5O2)O
Chemical ID:
7611532
Name [?]:
None
SMILES [?]:
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5CC(OC5O2)O
InChi [?]:
InChI=1/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,19,4,9,18,14,3,5,20,10,8,6,7,11,22,15,24,12,2,23,21,13/rA:24cCOCCCCCCCCCOOCOCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s7s11;s10;d14;s14;s9s16;s6;s18;s19;s20;s18s21;s5s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O7
All Atoms:38
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:4.5929
Area:481.414
Solvation:-7.44244
Coulombic:-62.2695
Bond Count [?]
All:28
Single:22
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.27
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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