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Brandioside

CAT: 0013-GTR19183860-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183860-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Brandioside (2'-Acetylpoliumoside) is a phenylpropanoid glycoside isolated from Callicarpa dichotoma. It exhibits antioxidant properties and has been shown in vitro to protect against glutamate-induced neurotoxicity, supporting its research use in neurological studies and diabetes mellitus investigations.
CAS Number
133393-81-4
Product Name Alternative
2'-O-Acetylpoliumoside, 2'-Acetylpoliumoside, Antioxidant, Brandioside, ROS
Field of Research
Metabolism Research
Purity
98.08% (May vary between batches)
Smiles
O ([C@H]1[C@H] (OC (/C=C/C2=CC (O) =C (O) C=C2) =O) [C@@H] (CO[C@H]3[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O3) O[C@@H] (OCCC4=CC (O) =C (O) C=C4) [C@@H]1OC (C) =O) [C@H]5[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O5
Molecular Formula
C37H48O20
Molecular Weight
812.77
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Brandioside

from Brandisia hancei; structure given in first source

CAS Number133393-81-4
PubChem CID6444015
IUPAC Name[5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC37H48O20
Molecular Weight812.8
XLogP-1
Topological Polar Surface Area310
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count20
Rotatable Bond Count15
Heavy Atom Count57
Formal Charge0
Complexity1320
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C37H48O20/c1-15-26(44)28(46)30(48)35(52-15)51-14-24-32(56-25(43)9-6-18-4-7-20(39)22(41)12-18)33(57-36-31(49)29(47)27(45)16(2)53-36)34(54-17(3)38)37(55-24)50-11-10-19-5-8-21(40)23(42)13-19/h4-9,12-13,15-16,24,26-37,39-42,44-49H,10-11,14H2,1-3H3/b9-6+
InChIKey
RIHCCESRYIALPG-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of Brandioside
CAS: 133393-81-4
CID: 6444015
Formula: C37H48O20
MW: 812.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight812.8
XLogP3-1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count20
Rotatable Bond Count15
Exact Mass812.27389392
Monoisotopic Mass812.27389392
Topological Polar Surface Area310 Ų
Heavy Atom Count57
Formal Charge0
Complexity1320
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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