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

CAS: 58479-68-8 Cat. No.: P465000 Summenformel: C₅₇H₉₂O₂₈ Molekulargewicht: 1225.32 EG-Nummer: 683-210-0 PubChem CID: 162859

QUALITÄT & REINHEIT 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

Übersicht

Description

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%(HPLC)

Product Line

P465000-10mg

Namen und Kennungen

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

1225.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Terpene glycosides
        • Ebene5 Triterpene glycosides
          • Ebene6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air and light sensitive
• Molekulargewicht: 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