Darutoside - ≥98% , CAS No.59219-65-7

CAS: 59219-65-7 Cat. No.: D418614 Molecular Weight: 484.62

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 1.248
• hba_count: 2
• HBD Count: 6
• Rotatable Bond: 5

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: 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
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(non-human)

RAW264.7 (28094 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 97
• DMSO(mM) Max Solubility: 200.156823903264
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 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