ChemSpider 2D Image | NICTOFLORIN | C27H30O15


  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID4477257
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

17650-84-9 [RN]
3,4',5,7-Tetrahydroxyflavone 3-rhamnoglucoside
4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-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-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Kaempferol 3-O-rutinose
kaempferol 3-O-rutinoside

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

4056D20K3H [DBID]
UNII:4056D20K3H [DBID]
UNII-4056D20K3H [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A kaempferol <element>O</element>-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-mannosyl-(1<arrow>right</arrow>6)-<stereo>beta</stereo>-<ster eo>D</stereo>-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of <ital>Solanum campaniforme</ital>. ChEBI CHEBI:69657
    • Compound Source:

      Chimarrhis turbinata (Rubiaceae) Susan Richardson [Structure found on ChemSpider, confirmed from ChEMBL]
      Isolated from a plant Susan Richardson [Structure found on ChemSpider, confirmed from ChEMBL]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 941.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.48
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 114.0±5.0 dyne/cm
Molar Volume: 337.4±5.0 cm3

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