ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,9xi,18xi)-2,3,23-trihydroxy-23,28-dioxoolea n-12-en-28-yl]-beta-D-glucopyranose | C52H82O23

β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxy-23,28-dioxoolea n-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC52H82O23
  • Average mass1075.194 Da
  • Monoisotopic mass1074.524658 Da
  • ChemSpider ID10136364

  • defined stereocentres - 24 of 27 defined stereocentres

More details:

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

β-D-Glucopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-2,3,23
 -trihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxy-23,28-dioxoolea n-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxy-23,28-dioxoole an-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-2,3,23-trihydroxy-23,28-dioxoolé an-12-én-28-yl]-β-D-glucopyranose [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: 1.641
Molar Refractivity: 257.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 101.67
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 371 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 714.6±5.0 cm3

Click to predict properties on the Chemicalize site


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