Man(a1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(a1-2)b-Man

Details

Top
Internal ID 5aa1bb4b-118c-4a98-bfe8-c2900171babd
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILES (Canonical) C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O
SMILES (Isomeric) C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O
InChI InChI=1S/C42H72O36/c43-1-8-16(51)23(58)30(36(65)66-8)73-38-32(25(60)18(53)10(3-45)68-38)75-40-34(27(62)20(55)12(5-47)70-40)77-42-35(28(63)21(56)14(7-49)72-42)78-41-33(26(61)19(54)13(6-48)71-41)76-39-31(24(59)17(52)11(4-46)69-39)74-37-29(64)22(57)15(50)9(2-44)67-37/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+/m1/s1
InChI Key OWLYYCIHBHFPJS-RJVSKHPWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C42H72O36
Molecular Weight 1153.00 g/mol
Exact Mass 1152.3803286 g/mol
Topological Polar Surface Area (TPSA) 585.00 Ų
XlogP -12.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Man(a1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(a1-2)b-Man

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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 91.96% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 89.05% 95.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.04% 96.09%
CHEMBL3589 P55263 Adenosine kinase 86.78% 98.05%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.83% 86.92%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.01% 83.57%

Plants that contains it

Top
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

Top
PubChem 162978226
LOTUS LTS0026199
wikiData Q105202089