ChemSpider 2D Image | 8-(beta-D-Glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-dimethyl-12-oxo-7a,12-dihydrodibenzo[c,kl]xanthen-4-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C39H44O21

8-(β-D-Glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-dimethyl-12-oxo-7a,12-dihydrodibenzo[c,kl]xanthen-4-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC39H44O21
  • Average mass848.754 Da
  • Monoisotopic mass848.237488 Da
  • ChemSpider ID8526043

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 8-(β-D-glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-diméthyl-12-oxo-7a,12-dihydrodibenzo[c,kl]xanthén-4-yle [French] [ACD/IUPAC Name]
8-(β-D-Glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-dimethyl-12-oxo-7a,12-dihydrodibenzo[c,kl]xanthen-4-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
8-(β-D-Glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-dimethyl-12-oxo-7a,12-dihydrodibenzo[c,kl]xanthen-4-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Dibenzo[c,kl]xanthen-12(7aH)-one, 8-(β-D-glucopyranosyloxy)-3,7a,11-trihydroxy-1,13-dimethyl-4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
1',2-binaphthalen-4-one-2',3-dimethyl-1,8'-epoxy-1,4',5,5',8,8'-hexahydroxy-8-O-[β]-glucopyranosyl-5'-O-[β]-xylopyranosyl(1[to]6)-[β]-glucopyranoside
208656-00-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505115/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1219.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.9±3.0 kJ/mol
Flash Point: 373.1±27.8 °C
Index of Refraction: 1.796
Molar Refractivity: 196.7±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.55
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 345 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 130.2±5.0 dyne/cm
Molar Volume: 462.0±5.0 cm3

Click to predict properties on the Chemicalize site


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