ChemSpider 2D Image | Angoroside C | C36H48O19

Angoroside C

  • Molecular FormulaC36H48O19
  • Average mass784.755 Da
  • Monoisotopic mass784.278992 Da
  • ChemSpider ID4948090

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

115909-22-3 [RN]
2-(3-Hydroxy-4-methoxyphenyl)ethyl α-L-arabinopyranosyl-(1->6)-[6-deoxy-α-L-talopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-4-methoxyphenyl)ethyl α-L-arabinopyranosyl-(1->6)-[6-deoxy-α-L-talopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
2-(3-Hydroxy-4-methoxyphenyl)ethyl-α-L-arabinopyranosyl-(1->6)-[6-desoxy-α-L-talopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Angoroside C
α-L-Arabinopyranosyl-(1->6)-[6-désoxy-α-L-talopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3-hydroxy-4-méthoxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-α-L-arabinopyranosyl-(1->6)-O-[6-deoxy-α-L-talopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(2R,3R,4R,5R,6R)-5-HYDROXY-6-[2-(3-HYDROXY-4-METHOXYPHENYL)ETHOXY]-4-{[(2S,3R,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}-2-({[(2S,3R,4S,5S)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}METHYL)OXAN-3-YL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOATE
Angoroside-C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 985.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.5±3.0 kJ/mol
Flash Point: 301.7±27.8 °C
Index of Refraction: 1.652
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.04
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.80
Polar Surface Area: 282 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 507.8±5.0 cm3

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