Chemical ID: 5199440

COc1cc(ccc1O)C2C(Oc3cc(ccc3O2)C4C(C(=O)c5c(cc(cc5O4)O)O)O)CO
Chemical ID:
5199440
Name [?]:
3,5,7-trihydroxy-2-[8-(4-hydroxy-3-methoxy-phenyl)-9-(hydroxymethyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl]-chroman-4-one
SMILES [?]:
COc1cc(ccc1O)C2C(Oc3cc(ccc3O2)C4C(C(=O)c5c(cc(cc5O4)O)O)O)CO
InChi [?]:
InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,16,7,17,4,14,26,28,34,5,15,27,8,25,18,3,13,29,11,24,22,21,10,20,35,31,9,32,23,33,2,12,19,30/rA:35cCOCCCCCCOCCOCCCCCCOCCCOCCCCCCOOOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s15;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s20s29;s27;s25;s21;s11;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O10
All Atoms:35
Heavy Atoms:35
Chiral Atoms:4
ZAP Information [?]
Total:6.1092
Area:681.306
Solvation:-10.9234
Coulombic:-120.638
Bond Count [?]
All:39
Single:29
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:482.436
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:2.33
LogP (Chemaxon):2.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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