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Arjunglucoside II

CAT: 0013-GTR19182044Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182044Size:5 mg
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Description
Arjunglucoside II demonstrates a moderate capacity for scavenging free radicals. This natural product is utilized in biochemical research, particularly in studies of oxidative stress, and has been investigated in both in vitro assays and in vivo models related to antioxidant mechanisms.
CAS Number
62369-72-6
Smiles
CC1 (C) CC[C@@]2 (CC[C@]3 (C) C (=CCC4[C@@]5 (C) C[C@@H] (O) [C@H] (O) [C@@] (C) (CO) C5CC[C@@]34C) C2C1) C (=O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C36H58O10
Molecular Weight
650.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Arjunglucoside II

2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopynoside is a triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of arjunolic acid with beta-D-glucopyranose. It has been isolated from Juglans sinensis. It has a role as a plant metabolite. It is a beta-D-glucoside, a pentacyclic triterpenoid, a carboxylic ester, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to an arjunolic acid. It derives from a hydride of an oleanane.

CAS Number62369-72-6
PubChem CID52951052
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC36H58O10
Molecular Weight650.8
XLogP4
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count46
Formal Charge0
Complexity1240
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
InChI
InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey
CJHYKSSBQRABTM-XJWBRSAFSA-N
Chemical Structure
2D Structure
2D structure of Arjunglucoside II
CAS: 62369-72-6
CID: 52951052
Formula: C36H58O10
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.8
XLogP34
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass650.40299804
Monoisotopic Mass650.40299804
Topological Polar Surface Area177 Ų
Heavy Atom Count46
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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