Saikosaponin B2 - 10mM in DMSO , CAS No.58316-41-9

CAS: 58316-41-9 Cat. No.: S424884 Molecular Weight: 780.98 PubChem CID: 21637642

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS037514824 | (3b,4a,16a)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | WRYJYFCCMSVEPQ-ORAXXRKOSA-N | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Saikosaponin B2 Saikosaponin B2 is a naturally occurring terpenoid that efficiently inhibits hepatitis C virus entry.

Specifications

Synonyms

AKOS037514824 | (3b, 4a, 16a)-16, 23, 28-Trihydroxyoleana-11, 13(18)-dien-3-yl-6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | WRYJYFCCMSVEPQ-ORAXXRKOSA-N | (2S, 3R, 4S, 5S, 6R)-2-[(2R, 3R, 4S, 5S, 6R)-2-[[(3S, 4R, 4aR, 6aR, 6bS, 8R, 8aS, 14aR, 14bS)-8-hydroxy-4,

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Saikosaponin B2 is a naturally occurring terpenoid that efficiently inhibits hepatitis C virus entry.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: WRYJYFCCMSVEPQ-ORAXXRKOSA-N
• INCHI: 1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@@H](C[C@]54C)O)CO)(C)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
• PubChem CID: 21637642
• Molecular Weight: 780.98

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Steroids and steroid derivatives O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: 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: 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(Human)

MCF7 (126967 Activities)

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MRC5 (9203 Activities)

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SH-SY5Y (11521 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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Bcap37 (715 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 781.000 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 780.466 Da
• Monoisotopic Mass: 780.466 Da
• Topological Polar Surface Area: 219.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1500.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• 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

References

1. Fuyun Chi, Wenshuang Wang, Shanshan Zhai, Man Zhang, Yuanyuan Hou, Gang Bai.  (2025)  Self-assembled baicalein-2,4-decadienal nanomedicine synergistically inhibits PGE2 expression and elicits anti-inflammatory responses.  Chinese Herbal Medicines,      [PMID:] [10.1016/j.chmed.2025.10.001]