ChemSpider 2D Image | (3beta,12beta)-12-Hydroxydammara-20,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H70O12

(3β,12β)-12-Hydroxydammara-20,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID9674001

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,12β)-12-Hydroxydammara-20,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-12-Hydroxydammara-20,24-dien-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,12β)-12-hydroxydammara-20,24-dién-3-yle [French] [ACD/IUPAC Name]
494753-69-4 [RN]
β-D-Glucopyranoside, (3β,12β)-12-hydroxydammara-20,24-dien-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
[494753-69-4] [RN]
3??,12??-dihydroxydammar-20(21),24-diene-3-O-??-D-glucopyranosyl(1->2)-??-D-glucopyranoside
3β,12β-dihydroxydammar-20-(21),24-diene-3-O-β-D-glucopyranosyl(1->2)-α-D-glucopyranoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 854.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 141.2±6.0 kJ/mol
    Flash Point: 470.6±34.3 °C
    Index of Refraction: 1.589
    Molar Refractivity: 202.4±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 8
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 4
    ACD/LogP: 6.70
    ACD/LogD (pH 5.5): 4.68
    ACD/BCF (pH 5.5): 2113.54
    ACD/KOC (pH 5.5): 8349.08
    ACD/LogD (pH 7.4): 4.68
    ACD/BCF (pH 7.4): 2113.51
    ACD/KOC (pH 7.4): 8348.98
    Polar Surface Area: 199 Å2
    Polarizability: 80.2±0.5 10-24cm3
    Surface Tension: 60.7±5.0 dyne/cm
    Molar Volume: 600.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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