Platanoside - ≥98% , CAS No.133740-25-7

CAS: 133740-25-7 Cat. No.: P941205 PubChem CID: 6451113

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)C=CC5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O)O
• IUPAC Name: [(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChIKey: HKZIBACORRUGAC-FIFPDCARSA-N
• INCHI: 1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+/t20-,33-,36+,38+,39-/m0/s1
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O
• Alternate CAS: 133740-25-7
• PubChem CID: 6451113
• MeSH Entry Terms: platanoside

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-3-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-3-O-glycosides
• Alternative Parents: 5-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids Flavones Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Hexoses Chromones O-glycosyl compounds Styrenes 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Vinylogous acids Secondary alcohols Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hexose monosaccharide - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Styrene - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Pyran - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Monosaccharide - Heteroaromatic compound - Enoate ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
• 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

Chemical and Physical Properties

• Molecular Weight: 724.700 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 724.179 Da
• Monoisotopic Mass: 724.179 Da
• Topological Polar Surface Area: 219.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1370.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1