ChemSpider 2D Image | Dipsacoside B | C53H86O22

Dipsacoside B

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID10254813

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

1-O-[(3β)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
33289-85-9 [RN]
Dipsacoside B
Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl)oxy)-23-hydroxy-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β,4α)-
β-D-Glucopyranose, 1-O-[(3β)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[33289-85-9] [RN]
1-O-[(3b)-3-{[2-O-(6-Deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-b-D-glucopyranosyl-b-D-glucopyranose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

E5H3T7090C [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: 1.633
    Molar Refractivity: 262.3±0.4 cm3
    #H bond acceptors: 22
    #H bond donors: 13
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 4.64
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 99.88
    ACD/KOC (pH 5.5): 938.75
    ACD/LogD (pH 7.4): 2.93
    ACD/BCF (pH 7.4): 99.88
    ACD/KOC (pH 7.4): 938.74
    Polar Surface Area: 354 Å2
    Polarizability: 104.0±0.5 10-24cm3
    Surface Tension: 79.2±5.0 dyne/cm
    Molar Volume: 734.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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