ChemSpider 2D Image | 6-Deoxy-beta-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,6beta )-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C69H112O34

6-Deoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β )-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC69H112O34
  • Average mass1485.607 Da
  • Monoisotopic mass1484.703491 Da
  • ChemSpider ID28639017

  • defined stereocentres - 40 of 40 defined stereocentres

More details:

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

6-Deoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β )-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
6-Desoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6be ta)-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxyméthyl)-4-méthyltétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6bê ta)-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, O-6-deoxy-β-L-mannopyranosyl-(1->3)-O-2-O-[(2S,3R,4S)-tetrahydro-3-hydroxy-4-(hydroxymethyl)-4-methyl-2-furanyl]-β-D-xylopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosy l-(1->2)-1-O-[(2β,3β,6β)-2,6,23-trihydroxy-28-oxo-3-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]olean-12-en-28-yl]- [ACD/Index Name]
)-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose
3-O-β-D-apiofuranosyl(1->2)-β-D-glucopyranosyl-28-O-{β-D-xylopyranosyl(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranosyl(1->3)-α-L-rhamnopyranosyl(1->2)-α-L-arabinopyranosyl}protobassic acid
6-deoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydrofuran-2-yl]-β-D-xylopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β
6-deoxy-β-L-mannopyranosyl-(1->3)-2-O-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)-4-methyltetrahydrofuran-2-yl]-β-D-xylopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β)-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose
madhucoside A

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: 1.652
Molar Refractivity: 349.7±0.4 cm3
#H bond acceptors: 34
#H bond donors: 19
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.81
ACD/KOC (pH 5.5): 459.50
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.81
ACD/KOC (pH 7.4): 459.49
Polar Surface Area: 531 Å2
Polarizability: 138.6±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 956.5±5.0 cm3

Click to predict properties on the Chemicalize site


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