Sweroside - 10mM in DMSO , CAS No.14215-86-2

CAS: 14215-86-2 Cat. No.: S580531 Formula: C₁₆H₂₂O₉ Molecular Weight: 358.34 EC Number: 802-684-3 PubChem CID: 161036

GRADE & PURITY 10mM in DMSO

Synonyms

I3YG76417O | UNII-I3YG76417O | Sweroside, >=95% (LC/MS-ELSD) | ACon0_001457 | AKOS015960475 | C17071 | MEGxp0_000813 | AC-35080 | DTXCID4084446 | CHEBI:80907 | s9072 | 1,9-trans-9,5-cis-sweroside | 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-gluco

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Description

Sweroside is an active component of iridoid glycoside, with a molecular weight of 358.344 Da. It is found in variety of plant species.Natural product derived from plant source.Sweroside has been used as a standard in MC-high performance liquid chromatography (HPLC)-ultraviolet (UV) experiment.

Specifications

Synonyms

I3YG76417O | UNII-I3YG76417O | Sweroside, >=95% (LC/MS-ELSD) | ACon0_001457 | AKOS015960475 | C17071 | MEGxp0_000813 | AC-35080 | DTXCID4084446 | CHEBI:80907 | s9072 | 1,9-trans-9,5-cis-sweroside | 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-gluco

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528774509

Canonical Smiles

C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O

IUPAC Name

(3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

InChIKey

VSJGJMKGNMDJCI-ZASXJUAOSA-N

INCHI

1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1

Isomeric SMILES

C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

PubChem CID

161036

Molecular Weight

358.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Delta valerolactones Oxanes Vinylogous esters Enoate esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Delta valerolactone - Delta_valerolactone - Oxane - Monosaccharide - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Alcohol - Primary alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: glycoside

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 358.340 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 358.126 Da
• Monoisotopic Mass: 358.126 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 548.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1