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beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->6)-alpha-D-glucopyranosyl-(1->2)-beta-D-fructofuranosyl beta-D-fructofuranoside

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID d42ed777-aee5-447f-b7b3-2931ec83b9fc
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name 2-[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
SMILES (Canonical) C(C1C(C(C(O1)(CO)OCC2(C(C(C(O2)CO)O)O)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O)O)O
SMILES (Isomeric) C(C1C(C(C(O1)(CO)OCC2(C(C(C(O2)CO)O)O)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O)O)O
InChI InChI=1S/C30H52O26/c31-1-10-16(38)22(44)27(6-35,52-10)49-8-29(24(46)18(40)12(3-33)54-29)48-5-14-15(37)20(42)21(43)26(51-14)56-30(25(47)19(41)13(4-34)55-30)9-50-28(7-36)23(45)17(39)11(2-32)53-28/h10-26,31-47H,1-9H2
InChI Key WVWDDRFCJKOMSC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H52O26
Molecular Weight 828.70 g/mol
Exact Mass 828.27468176 g/mol
Topological Polar Surface Area (TPSA) 427.00 Ų
XlogP -9.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->6)-alpha-D-glucopyranosyl-(1->2)-beta-D-fructofuranosyl beta-D-fructofuranoside

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.14% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 95.10% 95.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.85% 96.09%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 87.42% 86.92%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 86.30% 95.83%
CHEMBL2094128 P24941 Cyclin-dependent kinase 2/cyclin A 82.55% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.05% 95.89%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.60% 96.61%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.37% 95.50%
CHEMBL3401 O75469 Pregnane X receptor 80.14% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Asparagus officinalis

Cross-Links

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PubChem 73805521
LOTUS LTS0233418
wikiData Q105313827