Darutoside - 10mM in DMSO , CAS No.59219-65-7

CAS: 59219-65-7 Cat. No.: D424938 Fórmula: C₂₆H₄₄O₈ Peso molecular: 484.62

GRADE & PURITY 10mM in DMSO

Synonyms

s9484 | AC-34675 | DARUTOSIDE [INCI] | beta-D-Glucopyranoside, 7-(1,2-dihydroxyethyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-2-phenanthrenyl | UNII-EG8ODI0780 | Q27277170 | DARUTIGENOL 3-.BETA.-D-GLUCOSIDE | .BETA.-D-GLUCOPYRANOSIDE

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Darutoside, derived from botanical extracts, has a powerful regenerating action via decreasing inflammation and restoring collagen.

Specifications

Sinónimos

s9484 | AC-34675 | DARUTOSIDE [INCI] | beta-D-Glucopyranoside, 7-(1,2-dihydroxyethyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-2-phenanthrenyl | UNII-EG8ODI0780 | Q27277170 | DARUTIGENOL 3-.BETA.-D-GLUCOSIDE | .BETA.-D-GLUCOPYRANOSIDE

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

• ALogP: 1.248
• hba_count: 2
• Contagem HBD: 6
• Ligação rotativa: 5

Nomes e identificadores

• Pubchem Sid: 528764261
• Sorrisos canónicos: CC1(C2CCC3=CC(CCC3C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)(C)C(CO)O)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,4aS,4bR,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: QWWPCQGHWWNGET-LCVVDEIYSA-N
• INCHI: 1S/C26H44O8/c1-24(2)17-6-5-14-11-25(3,18(29)13-28)9-7-15(14)26(17,4)10-8-19(24)34-23-22(32)21(31)20(30)16(12-27)33-23/h11,15-23,27-32H,5-10,12-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,25+,26+/m1/s1
• SMILES isoméricas: C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)[C@H](CO)O
• Peso molecular: 484.62
• Reaxy-Rn: 58320414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58320414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene glycosides
• Alternative Parents: Diterpenoids Hydrophenanthrenes Hexoses O-glycosyl compounds Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene glycoside - Abietane diterpenoid - Diterpenoid - Pimarane diterpenoid - Hydrophenanthrene - Phenanthrene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
• External Descriptors: Not available

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

Alvos associados (não humanos)

RAW264.7 (28094 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 97
• DMSO (mM) Solubilidade máxima: 200.156823903264
• Água (mg/mL) Solubilidade máxima: -1
• Peso molecular: 484.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 484.304 Da
• Monoisotopic Mass: 484.304 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 770.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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