ChemSpider 2D Image | (5xi,8xi,12alpha,13xi)-12,17-Dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl 6-deoxy-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-xylopyranoside | C47H74O19

(5ξ,8ξ,12α,13ξ)-12,17-Dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl 6-deoxy-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranoside

  • Molecular FormulaC47H74O19
  • Average mass943.079 Da
  • Monoisotopic mass942.482422 Da
  • ChemSpider ID439752

  • defined stereocentres - 19 of 24 defined stereocentres

More details:

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

(5ξ,8ξ,12α,13ξ)-12,17-Dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl 6-deoxy-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranoside [ACD/IUPAC Name]
(5ξ,8ξ,12α,13ξ)-12,17-Dihydroxy-18-oxo-18,20:22,25-diepoxylanost-9(11)-en-3-yl-6-desoxy-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranoside de (5ξ,8ξ,12α,13ξ)-12,17-dihydroxy-18-oxo-18,20:22,25-diépoxylanost-9(11)-én-3-yle [French] [ACD/IUPAC Name]
Lanost-9(11)-en-18-one, 3-[[O-6-deoxy-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->;4)]-β-D-xylopyranosyl]oxy]-18,20:22,25-diepoxy-12,17-dihydroxy-, (5ξ,8ξ,12α,13ξ)- [ACD/Index Name]
1H,3H-Naphtho[2',1':4,5]indeno[1,7a-c]furan-1-one, 9-[[O-6-deoxy-b-D-glucopyranosyl-(1->2)-O-[b-D-glucopyranosyl-(1->4)]-b-D-xylopyranosyl]oxy]-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13-tetradecahydro-3a,13-dihydroxy-3,5a,8,8,11a-pentamethyl-3-(tetrahydro-5,5-dimethyl-2-furanyl)-, (3S,3aR,5aS,9R,11aS,13S)-

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

AIDS165838 [DBID]
AIDS-165838 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 230.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.40
ACD/KOC (pH 5.5): 311.68
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.40
ACD/KOC (pH 7.4): 311.67
Polar Surface Area: 293 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 645.9±5.0 cm3

Click to predict properties on the Chemicalize site


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