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Magnoloside B

CAT: 0931-TN7134-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7134-01Size:1 mg
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CAS Number
116872-05-0
Target
Glycosidase, Glucosidase
Related Pathways
Metabolism
Purity
0.9976
Bioactivity
Magnoloside B, a phenylethanol glycoside from the fruit of Magnolia officinalis, is an α-glucosidase inhibitor with protective effects against free radical-induced oxidative damage and can be used in cancer research.
Smiles
O=C(OC1C(O)C(OC(OCCC2=CC=C(O)C(O)=C2)C1OC3OC(C)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5
Molecular Formula
C35H46O20
Molecular Weight
786.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Magnoloside B

Magnoloside B is an oligosaccharide.

CAS Number116872-05-0
PubChem CID14018784
IUPAC Name[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC35H46O20
Molecular Weight786.7
XLogP-2.1
Topological Polar Surface Area324
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity1230
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+
InChIKey
MGCIVWNKCIWQHX-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Magnoloside B
CAS: 116872-05-0
CID: 14018784
Formula: C35H46O20
MW: 786.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight786.7
XLogP3-2.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count14
Exact Mass786.25824385
Monoisotopic Mass786.25824385
Topological Polar Surface Area324 Ų
Heavy Atom Count55
Formal Charge0
Complexity1230
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

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