ChemSpider 2D Image | (1beta,3beta,23S,24S,25S)-1-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-beta-D-gulopyranoside | C44H68O19

(1β,3β,23S,24S,25S)-1-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-β-D-gulopyranoside

  • Molecular FormulaC44H68O19
  • Average mass900.999 Da
  • Monoisotopic mass900.435486 Da
  • ChemSpider ID57641795
  • defined stereocentres - 28 of 28 defined stereocentres


More details:






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

(1β,3β,23S,24S,25S)-1-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-β-D-gulopyranoside [ACD/IUPAC Name]
(1β,3β,23S,24S,25S)-1-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl-6-desoxy-β-D-gulopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranoside de (1β,3β,23S,24S,25S)-1-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-én-24-yle [French] [ACD/IUPAC Name]
Spirost-5-en-15-one, 24-[(6-deoxy-β-D-gulopyranosyl)oxy]-1-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,23-dihydroxy-, (1β,3β,23S,24S,25S)- [ACD/Index Name]
882661-06-5 [RN]
Ornithosaponin B

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: 1.639
Molar Refractivity: 216.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.25
ACD/KOC (pH 5.5): 143.56
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.25
ACD/KOC (pH 7.4): 143.56
Polar Surface Area: 293 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 600.0±5.0 cm3

Click to predict properties on the Chemicalize site






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