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Chemical ID: 6914127
Chemical ID:
6914127
Name [?]:
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-chroman-4-one
SMILES [?]:
c1c(cc(c(c1O)O)O)C2C(C(=O)c3c(cc(cc3O2)O)O)O
InChi [?]:
InChI=1/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H
InChi Info:
AuxInfo=1/0/N:1,3,16,18,2,17,15,6,4,19,14,5,12,11,10,21,22,7,9,8,13,23,20/E:(1,2)(8,9)(18,19)/rA:23cCCCCCCOOOCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O8 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.42981 |
Area: | 480.695 |
Solvation: | -8.58757 |
Coulombic: | -110.662 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 320.251 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 8 |
XLogP: | -1.05 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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