Chemical ID: 4919055

COc1ccc2c(c1)OC3(c4cc5c(cc4OC3C2)OCO5)O
Chemical ID:
4919055
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)OC3(c4cc5c(cc4OC3C2)OCO5)O
InChi [?]:
InChI=1/C17H14O6/c1-19-10-3-2-9-4-16-17(18,23-12(9)5-10)11-6-14-15(21-8-20-14)7-13(11)22-16/h2-3,5-7,16,18H,4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,19,8,12,15,21,6,3,11,7,16,13,14,18,10,23,2,22,20,17,9/rA:23cCOCCCCCCOCCCCCCCOCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;s6s18;s14;s20;s13s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:6.27017
Area:471.943
Solvation:-5.52841
Coulombic:-57.7659
Bond Count [?]
All:27
Single:21
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.289
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.12
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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