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Desrhamnosylmartynoside

CAT: 0931-T3841Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3841Size:1 mg
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CAS Number
136055-64-6
Target
Others
Related Pathways
Others
Bioactivity
Desrhamnosylmartynoside is a natural product for research related to life sciences. The catalog number is T3841 and the CAS number is 136055-64-6.
Smiles
COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O)[C@H]2O)cc1O
Molecular Formula
C25H30O11
Molecular Weight
506.504
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Desrhamnosylmartynoside

Desrhamnosylmartynoside has been reported in Scutellaria prostrata with data available.

CAS Number136055-64-6
PubChem CID73554085
IUPAC Name[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC25H30O11
Molecular Weight506.5
XLogP1.2
Topological Polar Surface Area164
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity703
SMILES
COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O)O
InChI
InChI=1S/C25H30O11/c1-32-18-7-4-15(11-17(18)28)9-10-34-25-23(31)22(30)24(20(13-26)35-25)36-21(29)8-5-14-3-6-16(27)19(12-14)33-2/h3-8,11-12,20,22-28,30-31H,9-10,13H2,1-2H3/b8-5+/t20-,22-,23-,24-,25-/m1/s1
InChIKey
ZSTDWUNTJMTTBI-PMTAATDPSA-N
Chemical Structure
2D Structure
2D structure of Desrhamnosylmartynoside
CAS: 136055-64-6
CID: 73554085
Formula: C25H30O11
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass506.17881177
Monoisotopic Mass506.17881177
Topological Polar Surface Area164 Ų
Heavy Atom Count36
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5758083Desrhamnosylmartynoside

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