arjunglucoside I

arjunglucoside I
Compound Structure:
Synonyms: arjunglucoside I; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-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-carb
Compound ID: NMPC-029
PubChem ID:

14658050
Molecular Formula: C36H58O11
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
InChIKey: CMZFNIMQBCBHEX-APNSOIJXSA-N
About the compound:

Arjunglucoside I is primarily found in the bark of the Terminalia arjuna tree. The bark has been traditionally used for its therapeutic properties. Terminalia arjuna bark extracts, which contain compounds like Arjunglucoside I, have been researched for potential cardiovascular benefits. These include potential anti-hypertensive and cardio-protective effects. Some studies suggest that Arjunglucoside I may have antioxidant properties, which can help in combating oxidative stress.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

666.8 g/mol

XLogP3-AA

2.7

Hydrogen Bond Donor Count

8

Hydrogen Bond Acceptor Count

11

Rotatable Bond Count

5

Exact Mass

666.39791266 g/mol

Monoisotopic Mass

666.39791266 g/mol

Topological Polar Surface Area

197Ų

Heavy Atom Count

47

Formal Charge

0

Complexity

1270

Isotope Atom Count

0

Defined Atom Stereocenter Count

16

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Terminalia mantaly
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