(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

Details

• Internal ID: 95481b16-9935-4a9a-99a8-aa461b3f4b39
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(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)OCC3(C(C(C(O3)CO)O)O)OCC4C(C(C(C(O4)OC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)CO)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)OC[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O)O)O
• InChI: InChI=1S/C36H62O31/c37-1-12-19(45)26(52)32(7-42,62-12)58-10-35(29(55)22(48)15(4-40)65-35)60-9-34(28(54)21(47)14(3-39)64-34)57-6-17-18(44)24(50)25(51)31(61-17)67-36(30(56)23(49)16(5-41)66-36)11-59-33(8-43)27(53)20(46)13(2-38)63-33/h12-31,37-56H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+/m1/s1
• InChI Key: DPOIJLALZJKQCR-TWMOFSFSSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₆H₆₂O₃₁
• Molecular Weight: 990.90 g/mol
• Exact Mass: 990.32750517 g/mol
• Topological Polar Surface Area (TPSA): 506.00 Ų
• XlogP: -11.10

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	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

• Asparagus officinalis

Cross-Links

• PubChem: 91854243
• LOTUS: LTS0223831
• wikiData: Q104986624