ChemSpider 2D Image | narcissin | C28H32O16

narcissin

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID4587469

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3'-Methylquercetin 3-O-rutinoside
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Isorhamnetin 3-O-rutinoside
Isorhamnetin 3-rhamnoglucoside
Isorhamnetin 3-rutinoside
More...

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

AIDS089289 [DBID]
AIDS-089289 [DBID]
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in DOI: 10.1590/S0100-40422005000400009]
      Tocoyena brasiliensis (Rubiaceae) Susan Richardson [Structure found in DOI: 10.1590/S0100-40422005000400009]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 953.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.4±3.0 kJ/mol
Flash Point: 312.9±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.11
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 358.9±5.0 cm3

Click to predict properties on the Chemicalize site


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