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Molecule Detail Page

Molecule name

Raffinose

Additional molecule names

English en
alpha-D-Galactosyl-(1to6)-alpha-D-glucosyl-(1to2)-beta-D-fructose
Gossypose
Melitose
RAFFIN
Chinese zh
蜜三糖
棉子糖

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC18H32O16
Weight504.437 [g/mol]
Complexity655.44
XLogP-6.80
TPSA268.68
#HDonors11
#HAcceptors16
Gibbs Energy -520.0 [kcal/mol]
1H NMR spectrum Predict NMR spectrum
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILESO[C@@H]3[C@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]3O
InChIInChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
InChI-Key InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
KEGG ID C00492
ChEBI ID CHEBI:16634 
PubChem-CID 439242

Taxonomy

toggle 3 taxonomy entries

Most similar molecules

toggle 11 molecules (tanimoto >90%)

Reactions the molecule is involved in

toggle 4 reactions

Pathways the molecule is involved in

toggle 3 pathways