ChemSpider 2D Image | Andrographoside | C26H40O10

Andrographoside

  • Molecular FormulaC26H40O10
  • Average mass512.590 Da
  • Monoisotopic mass512.262146 Da
  • ChemSpider ID22913523

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

[(1R,2R,4aS,5R,8aS)-2-Hydroxy-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanyliden]ethyl}-1,4a-dimethyl-6-methylendecahydro-1-naphthalinyl]methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[(1R,2R,4aS,5R,8aS)-2-Hydroxy-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanylidene]ethyl}-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl]methyl β-D-glucopyranoside [ACD/IUPAC Name]
2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)- [ACD/Index Name]
82209-76-5 [RN]
Andrographoside
β-D-Glucopyranoside de [(1R,2R,4aS,5R,8aS)-2-hydroxy-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanylidène]éthyl}-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalényl]méthyle [French] [ACD/IUPAC Name]
(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
[82209-76-5] [RN]
147201-04-5 [RN]
Andrographiside
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: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.3±6.0 kJ/mol
Flash Point: 247.2±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.70
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.70
Polar Surface Area: 166 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 372.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement