ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C33H40O15

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC33H40O15
  • Average mass676.662 Da
  • Monoisotopic mass676.236694 Da
  • ChemSpider ID58171796
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-O-(6-Désoxy-β-D-glucopyranosyl)-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-2-O-(6-desoxy-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
118525-35-2 [RN]
3-(((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Sagittatoside A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 933.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 295.8±27.8 °C
Index of Refraction: 1.679
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 22.80
ACD/KOC (pH 5.5): 310.53
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 18.95
Polar Surface Area: 234 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site






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