ChemSpider 2D Image | (3beta,25R)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}furosta-5,16,20(22)-trien-27-yl beta-D-glucopyranoside | C51H80O21

(3β,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}furosta-5,16,20(22)-trien-27-yl β-D-glucopyranoside

  • Molecular FormulaC51H80O21
  • Average mass1029.168 Da
  • Monoisotopic mass1028.519165 Da
  • ChemSpider ID113385309

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,25R)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}furosta-5,16,20(22)-trien-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}furosta-5,16,20(22)-trien-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,25R)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy}furosta-5,16,20(22)-trién-27-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosyl]oxy]furosta-5,16,20(22)-trien-27-yl [ACD/Index Name]
26-O-β-D-glucopyranosyl-(25R)-furost-5,16(17),20(22)-trien-3β,26-diol-3-O-α-l-rhamnopyranosyl-(1-4)-[α-l-rhamnopyranosyl-(1-2)]-β-D-glucopyranoside
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-furosta-5,16(17),20(22)-trien-3β,26-diol
Trillfurostanoside E

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 252.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.86
ACD/KOC (pH 5.5): 2017.58
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.86
ACD/KOC (pH 7.4): 2017.57
Polar Surface Area: 330 Å2
Polarizability: 99.9±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 702.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement