ChemSpider 2D Image | pedunculosumoside C | C33H40O17

pedunculosumoside C

  • Molecular FormulaC33H40O17
  • Average mass708.661 Da
  • Monoisotopic mass708.226563 Da
  • ChemSpider ID26335440

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1283600-05-4 [RN]
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 2-[3,4-dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl]-5-hydroxy-3-(hydroxyméthyl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-(hydroxymethyl)- [ACD/Index Name]
pedunculosumoside C
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A homoflavonoid glycoside that is 5<apostrophe/>-prenylophioglonol attached to 2-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-<stereo>beta</stereo>-<stereo>D</stereo>-g lucopyranosyl residue at position 7 via glycosidic linkage. It has been isolated from the whole plant of <ital>Ophioglossum pedunculosum</ital> and exhibits anti-HBV activity. ChEBI CHEBI:67875
      A homoflavonoid glycoside that is 5'-prenylophioglonol attached to 2-O-beta-D-glucopyranosyl-beta-D-g; lucopyranosyl residue at position 7 via glycosidic linkage. It has been isolated from the whole p lant of Ophioglossum pedunculosum and exhibits anti-HBV activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67875
      A homoflavonoid glycoside that is 5'-prenylophioglonol attached to 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue at position 7 via glycosidic linkage. It has been isolated from the whole pla nt of Ophioglossum pedunculosum and exhibits anti-HBV activity. ChEBI CHEBI:67875

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1054.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.8±3.0 kJ/mol
Flash Point: 333.6±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.52
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 420.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement