Martynoside

CAT: 0931-TMA0424-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TMA0424-02Size:5 mg

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CAS Number

67884-12-2

Target

Antioxidant

Related Pathways

Oxidation-Reduction

Purity

0.9983

Bioactivity

Martynoside is an active glycoside extracted from Rehmannia, with anti-estrogen, anticancer, cytotoxic, hematopoietic, antioxidant, and anti-metastatic properties. It increases IGFBP3 levels through the ER pathway.

Smiles

O([C@H]1[C@H](OC(/C=C/C2=CC(OC)=C(O)C=C2)=O)[C@@H](CO)O[C@@H](OCCC3=CC(O)=C(OC)C=C3)[C@@H]1O)[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4

Molecular Formula

C31H40O15

Molecular Weight

652.64

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Martynoside

Martynoside has been reported in Acanthus ebracteatus, Rehmannia glutinosa, and other organisms with data available.

CAS Number	67884-12-2
PubChem CID	5319292
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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C31H40O15
Molecular Weight	652.6
XLogP	0.1
Topological Polar Surface Area	223
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	13
Heavy Atom Count	46
Formal Charge	0
Complexity	968

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)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O

InChI

InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1

InChIKey

WLWAYPFRKDSFCL-CNMJWYMJSA-N

Chemical Structure

2D Structure

CAS: 67884-12-2

CID: 5319292

Formula: C31H40O15

MW: 652.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	652.6
XLogP3	0.1
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	13
Exact Mass	652.23672056
Monoisotopic Mass	652.23672056
Topological Polar Surface Area	223 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	968
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TB01053	Martynoside
GTR19179709	Cis-Martynoside
RM-M221002-01	Martynoside Impurity 2

Martynoside

Chemical Information

Alternative Products

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