[5-[3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Details

• Internal ID: e6ff3f8e-ccee-42a0-ac84-cfa6e6b1d39e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: [5-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C56H70O32/c1-74-28-14-24(6-10-27(28)61)7-12-38(63)83-50-35(21-59)87-56(23-60,52(50)84-39(64)13-9-26-17-31(77-4)41(66)32(18-26)78-5)88-55-51(45(70)43(68)36(82-55)22-79-37(62)11-8-25-15-29(75-2)40(65)30(16-25)76-3)86-54-48(73)46(71)49(34(20-58)81-54)85-53-47(72)44(69)42(67)33(19-57)80-53/h6-18,33-36,42-55,57-61,65-73H,19-23H2,1-5H3
• InChI Key: YDXUZDVRVGYRJD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₆H₇₀O₃₂
• Molecular Weight: 1255.10 g/mol
• Exact Mass: 1254.3850200 g/mol
• Topological Polar Surface Area (TPSA): 473.00 Ų
• XlogP: -2.50

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	99.81%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	97.81%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.29%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.27%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.30%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.90%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.04%	95.56%
CHEMBL3714130	P46095	G-protein coupled receptor 6	93.95%	97.36%
CHEMBL3194	P02766	Transthyretin	92.90%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	92.53%	94.73%
CHEMBL1951	P21397	Monoamine oxidase A	88.29%	91.49%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.69%	94.45%
CHEMBL5255	O00206	Toll-like receptor 4	85.09%	92.50%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.43%	96.90%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.13%	94.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.01%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.95%	95.50%
CHEMBL226	P30542	Adenosine A1 receptor	82.85%	95.93%
CHEMBL4208	P20618	Proteasome component C5	82.64%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.98%	97.09%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.65%	92.62%
CHEMBL218	P21554	Cannabinoid CB1 receptor	80.37%	96.61%

Plants that contains it

• Polygala karensium

Cross-Links

• PubChem: 72978246
• LOTUS: LTS0121145
• wikiData: Q105347089