Notoginsenoside R3

CAT: 0804-HY-N10151-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N10151-01Size:1 mg

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Description

Notoginsenoside R3 is an active principle components of P. notoginseng. Notoginsenoside R3 act as a signaling molecule that is associated with various physiological effects. P. notoginseng and its components are used as traditional Chinese medicine for cardiovascular disease[1].

CAS Number

87741-76-2

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/notoginsenoside-r3.html

Purity

98.15

Solubility

10 mM in DMSO

Smiles

C[C@]12[C@@](C[C@H]([C@@]3([H])[C@]2(CC[C@]3([H])[C@@](CC/C=C(C)/C)(C)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)C)O)([H])[C@@]6([C@@](C(C)([C@H](CC6)O)C)([H])[C@H](C1)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)C

Molecular Formula

C48H82O19

Molecular Weight

963.15

References & Citations

[1]Chang-Yin Lee, et al. Inhibition of human colorectal cancer metastasis by notoginsenoside R1, an important compound from Panax notoginseng. Oncol Rep. 2017 Jan;37 (1) :399-407.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Notoginsenoside-R6

Notoginsenoside R3 has been reported in Panax japonicus, Panax notoginseng, and Panax ginseng with data available.

CAS Number	87741-76-2
PubChem CID	73351440
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C48H82O19
Molecular Weight	963.2
XLogP	0.5
Topological Polar Surface Area	318
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	13
Heavy Atom Count	67
Formal Charge	0
Complexity	1720

SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C

InChI

InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46+,47+,48-/m0/s1

InChIKey

YPUHYSBFIMWSEC-OEHDJSDTSA-N

Chemical Structure

2D Structure

CAS: 87741-76-2

CID: 73351440

Formula: C48H82O19

MW: 963.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	963.2
XLogP3	0.5
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	13
Exact Mass	962.54503038
Monoisotopic Mass	962.54503038
Topological Polar Surface Area	318 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1720
Isotope Atom Count	0
Defined Atom Stereocenter Count	26
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-N16751	Notoginsenoside D
HY-N0046-01	Notoginsenoside Fe
HY-N10336-01	Notoginsenoside R4
HY-N0615-01	Notoginsenoside R1
HY-N0909-01	Notoginsenoside R2
HY-N4305-01	Notoginsenoside FP2
HY-N5019-01	Notoginsenoside S
HY-N2530-01	Notoginsenoside Fa
HY-N2531-01	Notoginsenoside Fc
HY-N0910-01	Notoginsenoside Ft1

Alternative Products

Catalog	Name
GTR19242974	Notoginsenoside A
CS-BS-00190	Notoginsenoside Fe
MDA74177-01	Notoginsenoside R4
TN1105	Notoginsenoside S
T5761-01	Notoginsenoside Ft1
TN8463-01	Notoginsenoside FP1
300694	Notoginsenoside R1
300692	Notoginsenoside Fd
GTR19183267	Notoginsenoside T5
M29199-01	Notoginsenoside FP2

Notoginsenoside R3

Chemical Information

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