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Verbascoside

CAT: 0931-T3375-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T3375-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61276-17-3
Target
PARP, HSV, Apoptosis, p53, PKC, Antibacterial
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Microbiology/Virology, Cytoskeletal Signaling, Apoptosis
Purity
0.9955
Bioactivity
Verbascoside (Kusaginin) is a protein kinase C inhibitor with antimicrobial, anti-inflammatory activities.
Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Molecular Formula
C29H36O15
Molecular Weight
624.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Verbascoside

Acteoside is a glycoside that is the alpha-L-rhamnosyl-(13)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. It has a role as an antibacterial agent, a neuroprotective agent, an anti-inflammatory agent, an antileishmanial agent and a plant metabolite. It is a glycoside, a polyphenol, a member of catechols, a cinnamate ester and a disaccharide derivative. It is functionally related to a trans-caffeic acid and a hydroxytyrosol.

CAS Number61276-17-3
PubChem CID5281800
IUPAC Name[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H36O15
Molecular Weight624.6
XLogP-0.5
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity936
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey
FBSKJMQYURKNSU-ZLSOWSIRSA-N
Chemical Structure
2D Structure
2D structure of Verbascoside
CAS: 61276-17-3
CID: 5281800
Formula: C29H36O15
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass624.20542044
Monoisotopic Mass624.20542044
Topological Polar Surface Area245 Ų
Heavy Atom Count44
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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