Found 63 results

Search term: MF = 'C_{33}H_{40}O_{22}'
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside | C33H40O22

2-(3,4-Dihydroxyphenyl)-7-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H40O22
  • Average mass788.657 Da
  • Monoisotopic mass788.201111 Da
  • ChemSpider ID57620916

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-7-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
60778-02-1 [RN]
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-7-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-?(3,?4-?dihydroxyphenyl)?-?7-?[(6-?O-??-?D-?glucopyranosyl-??-?D-?glucopyranosyl)?oxy]?-?3-?(?-?D-?glucopyranosyloxy)?-?5-?hydroxy-4H-?1-?Benzopyran-?4-?one
MFCD31916270
Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobioside
Quercetin-3-O-b-D-glucose-7-O-b-D-gentiobioside
VUTMUSRYWYUQIK-GZIDCZEMSA-N

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1189.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.6±3.0 kJ/mol
Flash Point: 371.7±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: -1.89
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
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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