Found 63 results

Search term: MF = 'C_{33}H_{40}O_{22}'
ChemSpider 2D Image | 3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl beta-D-glucopyranoside | C33H40O22

3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl β-D-glucopyranoside

  • Molecular FormulaC33H40O22
  • Average mass788.657 Da
  • Monoisotopic mass788.201111 Da
  • ChemSpider ID115270403

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
Herbacetin 3-sophoroside-8-glucoside

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1176.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.3±3.0 kJ/mol
Flash Point: 367.6±27.8 °C
Index of Refraction: 1.776
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.97
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 140.1±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

Click to predict properties on the Chemicalize site


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