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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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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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 Number87741-76-2
PubChem CID73351440
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 FormulaC48H82O19
Molecular Weight963.2
XLogP0.5
Topological Polar Surface Area318
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count67
Formal Charge0
Complexity1720
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
2D structure of Notoginsenoside-R6
CAS: 87741-76-2
CID: 73351440
Formula: C48H82O19
MW: 963.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight963.2
XLogP30.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass962.54503038
Monoisotopic Mass962.54503038
Topological Polar Surface Area318 Ų
Heavy Atom Count67
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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