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

  • Molecular FormulaC33H40O15
  • Average mass676.662 Da
  • Monoisotopic mass676.236694 Da
  • ChemSpider ID20130279
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4H-1-Benzopyran-4-one, 3-((6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-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 6-deoxy-4-O-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-6-desoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-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]
119730-89-1 [RN]
3-?[(6-?deoxy-?4-?O-??-?D-?glucopyranosyl-??-?L-?mannopyranosyl)?oxy]?-?5,?7-?dihydroxy-?2-?(4-?methoxyphenyl)?-?8-?(3-?methyl-?2-?buten-?1-?yl)?-4H-?1-?Benzopyran-?4-?one
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Baohuoside VII
baohuosidevii
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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: 2.12
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 100.58
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.12
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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