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Ginsenoside Ra2

CAT: 0931-TN1685-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1685-02Size:5 mg
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CAS Number
83459-42-1
Target
Others
Related Pathways
Others
Purity
0.9757
Bioactivity
Ginsenoside Ra2 is a natural product found in ginseng with inhibitory activity against Angiotensin-converting enzyme (IC50= 385.59 μM) .
Smiles
C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@@H](O)[C@H](CO)O5)[C@@H](O)[C@H](O)[C@H]4O)(CCC=C(C)C)C)(CC3)[H])([C@H](O)C[C@@]1([C@]7(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]8[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@@H](CO)O8)CC7)[H])[H])[H]
Molecular Formula
C58H98O26
Molecular Weight
1211.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ginsenoside Ra2
CAS Number83459-42-1
PubChem CID100941543
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC58H98O26
Molecular Weight1211.4
XLogP-0.6
Topological Polar Surface Area416
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count26
Rotatable Bond Count18
Heavy Atom Count84
Formal Charge0
Complexity2210
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)C
InChI
InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,52+,53-,55-,56+,57+,58-/m0/s1
InChIKey
UEBIBJSWHIZNCA-BGPUAMRSSA-N
Chemical Structure
2D Structure
2D structure of Ginsenoside Ra2
CAS: 83459-42-1
CID: 100941543
Formula: C58H98O26
MW: 1211.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1211.4
XLogP3-0.6
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count26
Rotatable Bond Count18
Exact Mass1210.63463323
Monoisotopic Mass1210.63463323
Topological Polar Surface Area416 Ų
Heavy Atom Count84
Formal Charge0
Complexity2210
Isotope Atom Count0
Defined Atom Stereocenter Count33
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OG31930-01Ginsenoside Rk1 - Ginsenoside Rk1:Ginsenoside Rz1 (5:2)
300355Ginsenoside Rg3 (20 (s) -Ginsenoside Rg3)
300354Ginsenoside Rg2 (20 (s) -Ginsenoside Rg2)
N1613-5.1Ginsenoside Rg1
N1619-20Ginsenoside Rb2
MDA73367-01Ginsenoside RS1
CS-BS-00118Ginsenoside F1
HY-N11226Ginsenoside Ra0
ZKA25028-01Ginsenoside rc
IDA45941-01Ginsenoside Ra1

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