ChemSpider 2D Image | ligurobustoside N | C35H46O18

ligurobustoside N

  • Molecular FormulaC35H46O18
  • Average mass754.729 Da
  • Monoisotopic mass754.268433 Da
  • ChemSpider ID8525594

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(4-Hydroxyphenyl)ethyl 6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->;3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-6-desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
ligurobustoside N
β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[2-(4-hydroxyphenylethyl)]-[3-O-α-L-rhamnosyl(1->4)-α-L-rhamnopyranosyl]-(4-O-caffeoyl)-β-D-glucopyranoside
2-(4-hydroxyphenyl)ethyl 6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->;3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
583058-07-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 994.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.0±3.0 kJ/mol
Flash Point: 307.8±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 179.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.03
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.80
Polar Surface Area: 284 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 478.3±5.0 cm3

Click to predict properties on the Chemicalize site


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