ChemSpider 2D Image | 2-O-(6-Deoxy-alpha-L-mannopyranosyl)-1-O-[(3beta,5xi,9xi)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-19,20-dihydroxy-28-oxours-12-en-28-yl]- beta-D-glucopyranose | C59H96O27

2-O-(6-Deoxy-α-L-mannopyranosyl)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-19,20-dihydroxy-28-oxours-12-en-28-yl]- β-D-glucopyranose

  • Molecular FormulaC59H96O27
  • Average mass1237.377 Da
  • Monoisotopic mass1236.613892 Da
  • ChemSpider ID114928732

  • defined stereocentres - 32 of 34 defined stereocentres

More details:

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

2-O-(6-Deoxy-α-L-mannopyranosyl)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-19,20-dihydroxy-28-oxours-12-en-28-yl]- ; β-D-glucopyranose [ACD/IUPAC Name]
2-O-(6-Desoxy-α-L-mannopyranosyl)-1-O-[(3β,5ξ,9ξ)-3-{[6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-19,20-dihydroxy-28-oxours-12-en-28-yl ; ]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-1-O-[(3β,5ξ,9ξ)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-19,20-dihydroxy-28-oxours-12-én-28-yl ; ]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-O-(6-deoxy-α-L-mannopyranosyl)-1-O-[(3β,5ξ,9ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy]-19,20-dihydro 
xy-28-oxours-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (1S,2S,4aR,6aS,6bR,10S,12aR,14bS)-1,2-dihydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
258343-37-2 [RN]
Kudinoside I

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: 1.644
Molar Refractivity: 296.0±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.36
ACD/KOC (pH 5.5): 371.58
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.36
ACD/KOC (pH 7.4): 371.58
Polar Surface Area: 433 Å2
Polarizability: 117.4±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 817.7±5.0 cm3

Click to predict properties on the Chemicalize site


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