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Tangshenoside I

CAT: 1410-M31829-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31829-02Size:5 mg
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Description
Tangshenoside I might be a potential bioactive marker related to the hematopoietic and immunologic functions of Codonopsis Radix, which could be recommended as the index compound. It has α-glucosidase inhibition activity.
CAS Number
117278-74-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
678.6
Molecular Formula
C29H42O18
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Tangshenoside I

RN refers to ((S-(E))-isomer; from the root of Codonopsis pilosula

CAS Number117278-74-7
PubChem CID14135589
IUPAC Name(3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
Molecular FormulaC29H42O18
Molecular Weight678.6
XLogP-2.6
Topological Polar Surface Area281
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity1020
SMILES
C[C@](CC(=O)O)(CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29+/m1/s1
InChIKey
ABKPQICIFGNRAA-FPFGLZQYSA-N
Chemical Structure
2D Structure
2D structure of Tangshenoside I
CAS: 117278-74-7
CID: 14135589
Formula: C29H42O18
MW: 678.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.6
XLogP3-2.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count16
Exact Mass678.23711449
Monoisotopic Mass678.23711449
Topological Polar Surface Area281 Ų
Heavy Atom Count47
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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