Found 1 result

Search term: LKBFXDNKNZXHHW-RFRGGUJUSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({[4-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)-4-[(3beta,25R)-spirost-5-en-3-yloxy]butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C56H92O25

2-({[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)-4-[(3β,25R)-spirost-5-en-3-yloxy]butyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC56H92O25
  • Average mass1165.315 Da
  • Monoisotopic mass1164.592773 Da
  • ChemSpider ID114962187

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

2-({[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)-4-[(3β,25R)-spirost-5-en-3-yloxy]butyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-({[4-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}methyl)-4-[(3β,25R)-spirost-5-en-3-yloxy]butyl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 2-({[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}méthyl)-4-[(3β,25R)-spirost-5-én-3-yloxy]butyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]methyl]-4-[(3β,25R)-spirost-5-en-3-yloxy]butyl 4-O-α-D-glucopyranosyl- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxybutoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1402423-29-3 [RN]
Glyco-diosgenin

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: 1.635
Molar Refractivity: 280.7±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.43
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.43
Polar Surface Area: 385 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 784.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement