ChemSpider 2D Image | holotoxin G | C58H94O25

holotoxin G

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID28185048

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

(3β)-20-Hydroxy-16-oxolanosta-9(11),25-dien-3-yl β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranoside [ACD/IUPAC Name]
(3β)-20-Hydroxy-16-oxolanosta-9(11),25-dien-3-yl-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-desoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranosid [German] [ACD/IUPAC Name]
holotoxin G
Lanosta-9(11),25-dien-16-one, 3-[[O-β-D-glucopyranosyl-(1->4)-O-[O-β-D-glucopyranosyl-(1->;3)-O-β-D-xylopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranosyl]oxy]-20-hydr oxy-, (3β)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-désoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranoside de (3β)-20-hydroxy-16-oxolanosta-9(11),25-dién-3- yle [French] [ACD/IUPAC Name]

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: 1.625
Molar Refractivity: 289.9±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.21
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.21
Polar Surface Area: 393 Å2
Polarizability: 114.9±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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