ChemSpider 2D Image | (2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 6-deoxy-3-O-methyl -beta-D-glucopyranoside | C28H40O9

(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 6-deoxy-3-O-methyl -β-D-glucopyranoside

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID10264241

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 6-deoxy-3-O-methyl ;-β-D-glucopyranoside [ACD/IUPAC Name]
(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalin-10-yl-6-desoxy-3-O-methy ;l-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-méthyl-β-D-glucopyranoside de (2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-diméthyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tétradécahydro-6H-2,3,5-trioxapentaléno[1',6':5,6,7]cyclo nona[1,2-a]naphtalén-10-yle [French] [ACD/IUPAC Name]
6H-2,3,5-Trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one, 10-[(6-deoxy-3-O-methyl-β-D-glucopyranosyl)oxy]-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-2a,12a-dimethyl-, (2a R,4aS,6aR,10S,12aR,12bS,14bR)- [ACD/Index Name]
849201-84-9 [RN]
Glaucogenin C mono-D-thevetoside
MFCD28100358

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.0 g/cm3
Boiling Point: 717.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±0.0 kJ/mol
Flash Point: 236.1±0.0 °C
Index of Refraction: 1.584
Molar Refractivity: 132.2±0.0 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.69
ACD/KOC (pH 5.5): 964.86
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.69
ACD/KOC (pH 7.4): 964.85
Polar Surface Area: 113 Å2
Polarizability: 52.4±0.0 10-24cm3
Surface Tension: 55.1±0.0 dyne/cm
Molar Volume: 394.9±0.0 cm3

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