ChemSpider 2D Image | 6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-altropyranosyl}-1-O-[3-(beta-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,2
8-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C59H92O30

6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(β-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-altropyranosyl}-1-O-[3-(β-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,2 8-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC59H92O30
  • Average mass1281.344 Da
  • Monoisotopic mass1280.567383 Da
  • ChemSpider ID29814838
  • defined stereocentres - 22 of 34 defined stereocentres


More details:






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

6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(β-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-altropyranosyl}-1-O-[3-(β-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,2 8-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-2-O-{6-desoxy-3-O-[(2S,3R,4R)-3-(β-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-altropyranosyl}-1-O-[3-(β-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23 ,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-2-O-{6-désoxy-3-O-[(2S,3R,4R)-3-(β-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-altropyranosyl}-1-O-[3-(β-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23 ,28-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-deoxy-2-O-[6-deoxy-3-O-[(2S,3R,4R)-3-(β-D-glucopyranosyloxy)tetrahydro-4-hydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-altropyranosyl]-1-O-[3-(β-D-glucopyranuronosyloxy)-2
 ,22,23-trihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 297.8±0.4 cm3
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 487 Å2
Polarizability: 118.1±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 807.9±5.0 cm3

Click to predict properties on the Chemicalize site






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