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Rubranoside A

CAT: 0931-T125363-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125363-01Size:1 mg
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CAS Number
211126-58-8
Target
Others
Related Pathways
Others
Bioactivity
Rubranoside A is a useful organic compound for research related to life sciences. The catalog number is T125363 and the CAS number is 211126-58-8.
Smiles
OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C25H34O10
Molecular Weight
494.537
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3R)-1,7-Bis(3,4-Dihydroxyphenyl)-3-(Beta-D-Glucopyranosyl)Heptan-3-Ol

Rubranoside a is a diarylheptanoid.

CAS Number211126-58-8
PubChem CID10097263
IUPAC Name(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC25H34O10
Molecular Weight494.5
XLogP2.1
Topological Polar Surface Area180
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity609
SMILES
C1=CC(=C(C=C1CCCC[C@H](CCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1
InChIKey
LSEDQFLRUJOXDX-SBOHWPTNSA-N
Chemical Structure
2D Structure
2D structure of (3R)-1,7-Bis(3,4-Dihydroxyphenyl)-3-(Beta-D-Glucopyranosyl)Heptan-3-Ol
CAS: 211126-58-8
CID: 10097263
Formula: C25H34O10
MW: 494.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP32.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass494.21519728
Monoisotopic Mass494.21519728
Topological Polar Surface Area180 Ų
Heavy Atom Count35
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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