ChemSpider 2D Image | Digilanide B | C49H76O20

Digilanide B

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID4447631

  • defined stereocentres - 22 of 26 defined stereocentres

More details:

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

(14ξ)-3-{[β-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxyc
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxyc ard-20(22)-enolide [ACD/IUPAC Name]
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolid
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydro xycard-20(22)-enolid [German] [ACD/IUPAC Name]
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acétyl-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydro xycard-20(22)-énolide [French] [ACD/IUPAC Name]
(14ξ)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acétyl-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-ènolide
(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(8R,9S,10S,13R,17R)-14,16-Dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-4-yl acetate
(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(8R,9S,10S,13R,17R)-14,16-Dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-4-ylacetat
Acétate de (2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(8R,9S,10S,13R,17R)-14,16-dihydroxy-10,13-diméthyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadécahydro-1H-cyclopenta[a]phénanthrén-3-yl]oxy}-4-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-2-méthyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-4-yle
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 239.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.60
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.60
Polar Surface Area: 288 Å2
Polarizability: 95.0±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 692.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement