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.

仕様

同義語

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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名前と識別子

パブケム・シド

528774509

カノニカル・スマイル

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

異性体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

分子量

358.34

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	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
説明	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
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

3 D構造

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レビュー

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分子量	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 Å²
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

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

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