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Tigloside

CAT: 0013-GTR19234435-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234435-01Size:10 mg
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Description
Tigloside (Actinotetraose hexatiglate) is a symmetric tetrasaccharide esterified with tiglic acids, produced by the actinomycete Amycolatopsis. This secondary metabolite is of interest for research in natural product chemistry and microbiology, serving as a potential tool for studying microbial biosynthesis and bioactivity.
CAS Number
216590-44-2
Field of Research
Metabolism Research
Smiles
O (C (/C (=C/C) /C) =O) [C@H]1[C@H] (OC (/C (=C/C) /C) =O) [C@@H] (O) [C@H] (O[C@H]2[C@@H] (O[C@@H]3[C@H] (O[C@H]4[C@H] (O) [C@@H] (OC (/C (=C/C) /C) =O) [C@H] (OC (/C (=C/C) /C) =O) [C@@H] (CO) O4) [C@@H] (O) [C@H] (O) [C@@H] (COC (/C (=C/C) /C) =O) O3) O[C@H] (COC (/C (=C/C) /C) =O) [C@@H] (O) [C@@H]2O) O[C@@H]1CO
Molecular Formula
C54H78O27
Molecular Weight
1159.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Actinotetraose hexatiglate

Actinotetraose hexatiglate is a lipopolysaccharide.

CAS Number216590-44-2
PubChem CID10843896
IUPAC Name[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
Molecular FormulaC54H78O27
Molecular Weight1159.2
XLogP1
Topological Polar Surface Area384
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count27
Rotatable Bond Count28
Heavy Atom Count81
Formal Charge0
Complexity2210
SMILES
C/C=C(/C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)CO)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)CO)O)O)COC(=O)/C(=C/C)/C)\C
InChI
InChI=1S/C54H78O27/c1-13-23(7)45(63)69-21-31-33(57)35(59)43(79-51-37(61)41(77-49(67)27(11)17-5)39(29(19-55)71-51)75-47(65)25(9)15-3)53(73-31)81-54-44(36(60)34(58)32(74-54)22-70-46(64)24(8)14-2)80-52-38(62)42(78-50(68)28(12)18-6)40(30(20-56)72-52)76-48(66)26(10)16-4/h13-18,29-44,51-62H,19-22H2,1-12H3/b23-13+,24-14+,25-15+,26-16+,27-17+,28-18+/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,51+,52+,53-,54-/m1/s1
InChIKey
BHAUYHDLIURVPC-ZNKXWPPQSA-N
Chemical Structure
2D Structure
2D structure of Actinotetraose hexatiglate
CAS: 216590-44-2
CID: 10843896
Formula: C54H78O27
MW: 1159.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1159.2
XLogP31
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count27
Rotatable Bond Count28
Exact Mass1158.47304721
Monoisotopic Mass1158.47304721
Topological Polar Surface Area384 Ų
Heavy Atom Count81
Formal Charge0
Complexity2210
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-131307-01Tigloside

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