ChemSpider 2D Image | 6-Deoxy-alpha-L-talopyranosyl-(1->3)-(4xi)-beta-D-threo-pentopyranosyl-(1->4)-6-deoxy-alpha-L-talopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,16alpha,18xi)-3-({3-O-[(2S)-3,4-dihydroxy-4-(hydroxym ethyl)tetrahydro-2-furanyl]-D-allopyranuronosyl}oxy)-2,6,16,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-beta-L-arabinopyranose | C63H100O33

6-Deoxy-α-L-talopyranosyl-(1->3)-(4ξ)-β-D-threo-pentopyranosyl-(1->4)-6-deoxy-α-L-talopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α,18ξ)-3-({3-O-[(2S)-3,4-dihydroxy-4-(hydroxym ethyl)tetrahydro-2-furanyl]-D-allopyranuronosyl}oxy)-2,6,16,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-β-L-arabinopyranose

  • Molecular FormulaC63H100O33
  • Average mass1385.448 Da
  • Monoisotopic mass1384.614746 Da
  • ChemSpider ID28283613

  • defined stereocentres - 31 of 38 defined stereocentres

More details:

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6-Deoxy-α-L-talopyranosyl-(1->3)-(4ξ)-β-D-threo-pentopyranosyl-(1->4)-6-deoxy-α-L-talopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α,18ξ)-3-({3-O-[(2S)-3,4-dihydroxy-4-(hydroxym ;ethyl)tetrahydro-2-furanyl]-D-allopyranuronosyl}oxy)-2,6,16,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-β-L-arabinopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-talopyranosyl-(1->3)-(4ξ)-β-D-threo-pentopyranosyl-(1->4)-6-desoxy-α-L-talopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α,18ξ)-3-({3-O-[(2S)-3,4-dihydroxy-4-(hydrox ;ymethyl)tetrahydro-2-furanyl]-D-allopyranuronosyl}oxy)-2,6,16,24-tetrahydroxy-28-oxoolean-12-en-28-yl]-β-L-arabinopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-talopyranosyl-(1->3)-(4ξ)-β-D-thréo-pentopyranosyl-(1->4)-6-désoxy-α-L-talopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α,18ξ)-3-({3-O-[(2S)-3,4-dihydroxy-4-(hydrox ;yméthyl)tétrahydro-2-furanyl]-D-allopyranuronosyl}oxy)-2,6,16,24-tétrahydroxy-28-oxooléan-12-én-28-yl]-β-L-arabinopyranose [French] [ACD/IUPAC Name]
β-L-Arabinopyranose, O-6-deoxy-α-L-talopyranosyl-(1->3)-O(4ξ)-β-D-threo-pentopyranosyl-(1->4)-O-6-deoxy-α-L-talopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α,18ξ)-2,6,16,24- tetrahydroxy-28-oxo-3-[[3-O-[(2S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-D-allopyranuronosyl]oxy]olean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 320.6±0.4 cm3
#H bond acceptors: 33
#H bond donors: 19
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 529 Å2
Polarizability: 127.1±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 864.1±5.0 cm3

Click to predict properties on the Chemicalize site


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