ChemSpider 2D Image | (3beta,5beta,25S)-Spirostan-3-yl 4-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C38H62O12

(3β,5β,25S)-Spirostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID23311619

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5β,25S)-Spirostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,25S)-Spirostan-3-yl-4-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (3β,5β,25S)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl 4-O-β-D-xylopyranosyl- [ACD/Index Name]
(2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
72947-73-0 [RN]
aspafilioside A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400899/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.8±6.0 kJ/mol
Flash Point: 454.1±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 181.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.81
ACD/KOC (pH 5.5): 2420.69
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.80
ACD/KOC (pH 7.4): 2420.66
Polar Surface Area: 177 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 528.6±5.0 cm3

Click to predict properties on the Chemicalize site


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