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Tubuloside A

CAT: 1410-M17826-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17826-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tubuloside A (8.6 microM) can inhibit D-galactosamine-induced death of hepatocytes. Tubuloside A has NO radical-scavenging activity, which possibly contributes to its anti-inflammatory effects.
CAS Number
112516-05-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
828.77
Molecular Formula
C37H48O21
Notes
Research use only, not for human use.
Receptor
NOS

Chemical Information

CID 127258928
CAS Number112516-05-9
PubChem CID127258928
IUPAC Name[5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC37H48O21
Molecular Weight828.8
XLogP-1.5
Topological Polar Surface Area331
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Heavy Atom Count58
Formal Charge0
Complexity1340
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3/b8-5+
InChIKey
KZLDMAIXPXOZCX-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of CID 127258928
CAS: 112516-05-9
CID: 127258928
Formula: C37H48O21
MW: 828.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.8
XLogP3-1.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Exact Mass828.26880854
Monoisotopic Mass828.26880854
Topological Polar Surface Area331 Ų
Heavy Atom Count58
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB0466-0020Tubuloside A
TN8525-01Tubuloside E
372047Tubuloside A discontinued
MBS3613003-01tubuloside B
HY-N2155RTubuloside A (Standard)

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