Platycodin D - Moligand™, ≥98%(HPLC) , CAS No.58479-68-8

CAS: 58479-68-8 Cat. No.: P465000 Fórmula: C₅₇H₉₂O₂₈ Peso molecular: 1225.32 Número EC: 683-210-0 PubChem CID: 162859

CALIDAD & PUREZA Moligand™, ≥98%(HPLC)

Synonyms

Q-100670 | HMS3887G11 | PlatycodinD | Platycodin-D | DTXSID901021773 | PLATYCODIN D [INCI] | CWJ06TA2GI | s9304 | AKOS037514784 | MFCD09952590 | Q15425261 | C17410 | SCHEMBL23500390 | UNII-CWJ06TA2GI | CCG-270661 | HY-N1411 | AC-34319 | CHEBI:70436 | BS-1

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Description

Platycodin D is a triterpenoid saponin found in the root ofPlatycodon grandiflorus.

Especificaciones

Sinónimos

Q-100670 | HMS3887G11 | PlatycodinD | Platycodin-D | DTXSID901021773 | PLATYCODIN D [INCI] | CWJ06TA2GI | s9304 | AKOS037514784 | MFCD09952590 | Q15425261 | C17410 | SCHEMBL23500390 | UNII-CWJ06TA2GI | CCG-270661 | HY-N1411 | AC-34319 | CHEBI:70436 | BS-1

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%(HPLC)

Product Line

P465000-10mg

Nombres e identificadores

Sonrisas canónicas

O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(CO)(CO)[C@]3([H])CC[C@@]4(C)[C@]5(C)C[C@@H](O)[C@@]6(C(O[C@H]7[C@H](O[C@@H]8O[C@@H](C)[C@H](O[C@H]9[C@H](O)[C@@H](O[C@@H]%10OC[C@@](CO)(O)[C@H]%10O)[C@H](O)CO9)[C@@H](O)[C@H]8O)[C@@H](O)[C@@H](O

IUPAC Name

[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

InChIKey

CYBWUNOAQPMRBA-NDTOZIJESA-N

INCHI

1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,52+,53+,54+,56+,57+/m0/s1

Isómeros SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O

PubChem CID

162859

Peso molecular

1225.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Oligosaccharides 12-alpha-hydroxysteroids Fatty acyl glycosides O-glycosyl compounds Beta hydroxy acids and derivatives Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Fatty acyl - Oxane - Hydroxy acid - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Alcohol - Primary alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• External Descriptors: Dammarenes

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air and light sensitive
• Peso molecular: 1225.300 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 15
• Exact Mass: 1224.58 Da
• Monoisotopic Mass: 1224.58 Da
• Topological Polar Surface Area: 453.000 Ų
• Heavy Atom Count: 85
• Formal Charge: 0
• Complexity: 2380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 31
• 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