ChemSpider 2D Image | Pentopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-1-O-{(3beta)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}pentopyranose | C58H94O25

Pentopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-1-O-{(3β)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}pentopyranose

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID341620

  • defined stereocentres - 8 of 31 defined stereocentres

More details:

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

Pentopyranose, O-pentopyranosyl-(1->;4)-O--6-deoxyhexopyranosyl-(1->2)-1-O-[(3β)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
Pentopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-1-O-{(3β)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}pentopyranose [ACD/IUPAC Name]
Pentopyranosyl-(1->4)-6-desoxyhexopyranosyl-(1->2)-1-O-{(3β)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}pentopyranose [German] [ACD/IUPAC Name]
Pentopyranosyl-(1->4)-6-désoxyhexopyranosyl-(1->2)-1-O-{(3β)-3-[(2-O-hexopyranosylhexopyranosyl)oxy]-28-oxooléan-12-én-28-yl}pentopyranose [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-β-[2-O-(β-D-glucopyranosyl)- β-D-glucopyranosyloxy]-, [2-O-[4-O-(β-D-xylopyranosyl)-6-deoxy- β-D-gulopyranosyl]-β-L-arbinopyranosyl] ester

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

NCI60_027230 [DBID]
NSC676772 [DBID]

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: 1.634
Molar Refractivity: 288.4±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.42
ACD/KOC (pH 5.5): 559.10
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.42
ACD/KOC (pH 7.4): 559.10
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 806.6±5.0 cm3

Click to predict properties on the Chemicalize site


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