ChemSpider 2D Image | 3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,16alpha)-3-{[6-O-(beta-D-glucopyranosyl)-beta-D -glucopyranosyl]oxy}-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-alpha-L-arabinopyranose | C63H98O33

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-{[6-O-(β-D-glucopyranosyl)-β-D -glucopyranosyl]oxy}-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC63H98O33
  • Average mass1383.432 Da
  • Monoisotopic mass1382.598999 Da
  • ChemSpider ID35518408

  • defined stereocentres - 37 of 37 defined stereocentres

More details:

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

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-{[6-O-(β-D-glucopyranosyl)-β-D 
-glucopyranosyl]oxy}-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-{[6-O-(β-D-glucopyranosyl)-β- 
D-glucopyranosyl]oxy}-16,23-dihydroxy-24,28-dioxo-2,24-epoxyolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-{[6-O-(β-D-glucopyranosyl)-β- 
D-glucopyranosyl]oxy}-16,23-dihydroxy-24,28-dioxo-2,24-époxyoléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-2,23-epo xy-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-16,24-dihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
platycogenic acid A 3-O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]-28-O-[α-L-apiofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinoside]-γ-lactone
platyconic acid B lactone

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 318.8±0.4 cm3
#H bond acceptors: 33
#H bond donors: 18
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.21
Polar Surface Area: 518 Å2
Polarizability: 126.4±0.5 10-24cm3
Surface Tension: 96.7±5.0 dyne/cm
Molar Volume: 853.4±5.0 cm3

Click to predict properties on the Chemicalize site


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