ChemSpider 2D Image | apostichoposide A1 | C54H86O23

apostichoposide A1

  • Molecular FormulaC54H86O23
  • Average mass1103.247 Da
  • Monoisotopic mass1102.556030 Da
  • ChemSpider ID81367027

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3β,9β,16β)-20-Hydroxy-18-oxo-16,18-epoxylanosta-7,25-dien-3-yl β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,9β,16β)-20-Hydroxy-18-oxo-16,18-epoxylanosta-7,25-dien-3-yl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-desoxy-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
apostichoposide A1
Lanosta-7,25-dien-18-one, 16,18-epoxy-3-[[O-β-D-glucopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->4)-O-6-deoxy-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl]oxy]-20-hydroxy-, (3β,9β,16be ta)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-désoxy-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside de (3β,9β,16β)-20-hydroxy-18-oxo-16,18-époxylanosta-7,25-dién-3-yle [French] [ACD/IUPAC Name]

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: 268.2±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.35
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 97.35
Polar Surface Area: 363 Å2
Polarizability: 106.3±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 752.4±5.0 cm3

Click to predict properties on the Chemicalize site


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