ChemSpider 2D Image | (3beta)-16-Oxo-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranoside | C53H86O21

(3β)-16-Oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside

  • Molecular FormulaC53H86O21
  • Average mass1059.237 Da
  • Monoisotopic mass1058.566162 Da
  • ChemSpider ID28491898
  • defined stereocentres - 28 of 28 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β)-16-Oxo-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β)-16-Oxo-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
1335200-66-2 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranoside de (3β)-16-oxo-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Oleanan-16-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy]-13,28-epoxy-, (3β)- [ACD/Index Name]
3-O-β-D-glucopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl-13β,28-epoxy-3β-hydroxyolean-16-one
clethroidoside C
  • Miscellaneous
    • Chemical Class:

      A triterpenoid saponin that is (3<stereo>beta</stereo>)-3-hydroxy-13,28-epoxyoleanan-16-one attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the aerial parts of <ital>Lysimachia clethroides</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:69603
      A triterpenoid saponin that is (3beta)-3-hydroxy-13,28-epoxyoleanan-16-one attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the aerial parts of Lysimachia cl ethroides, it exhibits antineoplastic activity. ChEBI CHEBI:69603
      A triterpenoid saponin that is (3beta)-3-hydroxy-13,28-epoxyoleanan-16-one attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the aerial parts; of Lysimachia clethroides, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69603

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 259.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 604.27
ACD/KOC (pH 5.5): 3405.08
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 604.26
ACD/KOC (pH 7.4): 3405.07
Polar Surface Area: 323 Å2
Polarizability: 102.8±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 734.8±5.0 cm3

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