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Chemical structure of Manninotriose

GC30385

Manninotriose

Also known as (3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Manninotriose is a novel and important player in the RFO(Raffinose family oligosaccharides) metabolism of red dead deadnettle; potential to improve the side effects of MTX for ALL treatment

ChemicalCAS13382-86-0MW504.44FormulaC18H32O16
CAS number
13382-86-0
Molecular weight
504.44
Formula
C18H32O16
Solubility
Water ： 83·3 mg/mL (165·13 mM)
InChIKey
FBJQEBRMDXPWNX-SMGIPPFUSA-N
Catalogue number
GC30385
Brand
GLPBIO
Computed properties PubChem CID 440660 · XLogP -6.9 · TPSA 269 Ų · H-bond donors 11
XLogP
-6.9
TPSA
269 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
34

SMILES C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 440660), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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