Timosaponin BII - ≥98% , CAS No.136656-07-0

CAS: 136656-07-0 Cat. No.: T414380 Molecular Weight: 921.07 EC Number: 110-062-1 PubChem CID: 44575945

GRADE & PURITY ≥98%

Synonyms

Prototimosaponin A III | (3β,​5β,​22α,​25S)​-​26-​(β-​D-​glucopyranosyloxy)​-​22-​hydroxyfurostan-​3-​yl 2-​O-​β-​D-​glucopyranosyl-β-​D-​Galactopyranoside

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Timosaponin BII (Prototimosaponin A III) is a steroid saponin found in the rhizomes of Anemarrhena asphodeloides. Timosaponin BII has neuronal protective, anti-inflammatory and antioxidant activities。

Specifications

Synonyms

Prototimosaponin A III | (3β, ​5β, ​22α, ​25S)​-​26-​(β-​D-​glucopyranosyloxy)​-​22-​hydroxyfurostan-​3-​yl 2-​O-​β-​D-​glucopyranosyl-β-​D-​Galactopyranoside

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Timosaponin BII (BII, Prototimosaponin AIII) is a steroidal saponin showing potential anti-dementia and antioxidant activity.

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: -1.124
• HBD Count: 11
• Rotatable Bond: 13

Names and Identifiers

• Pubchem Sid: 488201011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201011
• Canonical Smiles: CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: SORUXVRKWOHYEO-FRUGGTEYSA-N
• INCHI: 1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45?/m0/s1
• Isomeric SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)OC1(CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
• PubChem CID: 44575945
• Molecular Weight: 921.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroidal saponins
• Alternative Parents: Diterpene glycosides Furostanes and derivatives Hydroxysteroids Diterpenoids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Disaccharides O-glycosyl compounds Oxanes Oxolanes Hemiacetals Secondary alcohols Oxacyclic compounds Acetals Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroidal saponin - Diterpene glycoside - Furostane-skeleton - 22-hydroxysteroid - Diterpenoid - Hydroxysteroid - Terpene glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - O-glycosyl compound - Disaccharide - Glycosyl compound - Oxane - Fatty acyl - Oxolane - Secondary alcohol - Hemiacetal - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
• 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)

Mus musculus (284745 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

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (108.56 mM)
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 108.569381263096
• Water(mg / mL) Max Solubility: 100
• Water(mM) Max Solubility: 108.569381263096
• Molecular Weight: 921.100 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 920.498 Da
• Monoisotopic Mass: 920.498 Da
• Topological Polar Surface Area: 307.000 Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1560.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 26
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1