Angoroside C (Standard)

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Description

Angoroside C (Standard) is the analytical standard of Angoroside C. This product is intended for research and analytical applications. Angoroside C, a phenylpropanoid glycoside isolated from Scrophularia ningpoensis, has beneficial effects against ventricular remodeling[1].

CAS Number

115909-22-3

UNSPSC

12352005

Target

Others; Reference Standards

Type

Reference Standards

Related Pathways

Others

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/angoroside-c-standard.html

Smiles

O[C@H]1[C@@H](O)CO[C@@H](OC[C@@H]2[C@@H](OC(/C=C/C3=CC=C(O)C(OC)=C3)=O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](OCCC5=CC=C(OC)C(O)=C5)O2)[C@@H]1O

Molecular Formula

C36H48O19

Molecular Weight

784.75

References & Citations

[1]Gu WL, et al. The effect of angoroside C on pressure overload-induced ventricular remodeling in rats. Phytomedicine. 2015 Jul 15;22 (7-8) :705-12.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Angoroside C

angoroside C has been reported in Scrophularia nodosa, Buddleja davidii, and other organisms with data available.

CAS Number	115909-22-3
PubChem CID	23757181
IUPAC Name	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C36H48O19
Molecular Weight	784.8
XLogP	-1.4
Topological Polar Surface Area	282
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Heavy Atom Count	55
Formal Charge	0
Complexity	1210

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)OC)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O

InChI

InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1

InChIKey

KLQXMRBGMLHBBQ-DQTDZZOCSA-N

Chemical Structure

2D Structure

CAS: 115909-22-3

CID: 23757181

Formula: C36H48O19

MW: 784.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	784.8
XLogP3	-1.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Exact Mass	784.27897930
Monoisotopic Mass	784.27897930
Topological Polar Surface Area	282 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T126389-01	Angoroside A
T3903-01	Angoroside C
TBZ30106	Angoroside B
371171	Angoroside C discontinued
abx098968-01	Standard

Angoroside C (Standard)

Chemical Information

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