ChemSpider 2D Image | 3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide | C41H64O14

3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID229996

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

3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-{[2,6-Didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-{[2,6-Didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O--2,6-dideoxyhexopyranosyl-(1->4)-O--2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy]-14,16-dihydroxy- [ACD/Index Name]
208936-55-4 [RN]
2806-10-2 [RN]
4-(3-{5-[5-(4,5-Dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy}-14,16-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5H-furan-2-one
4-(3-{5-[5-(4,5-Dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy}-14,16-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5H-furan-2-onedigitoxin
Anhydrogitalin
Bigitalin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_042118 [DBID]
NSC95099 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 932.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.8±6.0 kJ/mol
Flash Point: 278.6±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.27
ACD/KOC (pH 5.5): 129.56
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.27
ACD/KOC (pH 7.4): 129.56
Polar Surface Area: 203 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

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