ChemSpider 2D Image | dulcoside A | C38H60O17

dulcoside A

  • Molecular FormulaC38H60O17
  • Average mass788.873 Da
  • Monoisotopic mass788.383057 Da
  • ChemSpider ID24606167

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
64432-06-0 [RN]
dulcoside A
(4?)?-13-?[[2-?O-?(6-?deoxy-??-?L-?mannopyranosyl)?-??-?D-?glucopyranosyl]?oxy]?-Kaur-?16-?en-?18-?oic acid?, ?-?D-?glucopyranosyl ester
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(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]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
DULCOSIDEA

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

BV1X94PJ0P [DBID]
UNII:BV1X94PJ0P [DBID]
UNII-BV1X94PJ0P [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: 928.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 153.2±6.0 kJ/mol
    Flash Point: 279.6±27.8 °C
    Index of Refraction: 1.635
    Molar Refractivity: 188.8±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 10
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 4.08
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.41
    ACD/KOC (pH 5.5): 410.15
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.41
    ACD/KOC (pH 7.4): 410.15
    Polar Surface Area: 275 Å2
    Polarizability: 74.9±0.5 10-24cm3
    Surface Tension: 80.3±5.0 dyne/cm
    Molar Volume: 527.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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