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CistanosideC

CAT: 1410-M39128-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39128-02Size:5 mg
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Description
Jionoside D exhibits antioxidant property.
CAS Number
120406-34-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
638.61
Molecular Formula
C30H38O15
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Jionoside D

(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has been reported in Rehmannia glutinosa, Pedicularis artselaeri, and other organisms with data available.

CAS Number120406-34-0
PubChem CID9895632
IUPAC Name[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-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 FormulaC30H38O15
Molecular Weight638.6
XLogP-0.2
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity952
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)OC)O)O)O)O)O
InChI
InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-20(40-2)19(34)12-16)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)18(33)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey
WKQLGHCWJNLUKK-CPPDSBOHSA-N
Chemical Structure
2D Structure
2D structure of Jionoside D
CAS: 120406-34-0
CID: 9895632
Formula: C30H38O15
MW: 638.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.6
XLogP3-0.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass638.22107050
Monoisotopic Mass638.22107050
Topological Polar Surface Area234 Ų
Heavy Atom Count45
Formal Charge0
Complexity952
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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CatalogName
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Alternative Products

CatalogName
GTR19260225-01CistanosideC

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