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Glc(a1-3)Glc(a1-3)Glc(a1-3)a-Glc

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 e755620a-868e-40a4-bfe1-7132253a329c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2S,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-/m1/s1
InChI Key OLBQXBHLZOAVSV-MWWHFTBPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H42O21
Molecular Weight 666.60 g/mol
Exact Mass 666.22185834 g/mol
Topological Polar Surface Area (TPSA) 348.00 Ų
XlogP -7.40

Synonyms

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GlyTouCan:G72266UI
G72266UI
Glc(a1-3)Glc(a1-3)Glc(a1-3)a-Glc
(2S,3R,4S,5R,6R)-4-((2R,3R,4S,5R,6R)-4-((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(hydroxymethyl)oxane-2,3,5-triol

2D Structure

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2D Structure of Glc(a1-3)Glc(a1-3)Glc(a1-3)a-Glc

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 93.36% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 88.80% 95.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.68% 96.09%
CHEMBL3589 P55263 Adenosine kinase 86.58% 98.05%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 85.77% 83.57%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.05% 86.92%

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.
There are no matching plants.

Cross-Links

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PubChem 156618106
LOTUS LTS0224604
wikiData Q105193895