ChemSpider 2D Image | (2alpha,3beta,8xi,9xi,14xi,15beta,22xi,25R)-2,15-Dihydroxyspirostan-3-yl hexopyranosyl-(1->3)hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside | C56H92O29

(2α,3β,8ξ,9ξ,14ξ,15β,22ξ,25R)-2,15-Dihydroxyspirostan-3-yl hexopyranosyl-(1->3)hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside

  • Molecular FormulaC56H92O29
  • Average mass1229.312 Da
  • Monoisotopic mass1228.572388 Da
  • ChemSpider ID4508514
  • defined stereocentres - 9 of 38 defined stereocentres


More details:






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

(2α,3β,8ξ,9ξ,14ξ,15β,22ξ,25R)-2,15-Dihydroxyspirostan-3-yl hexopyranosyl-(1->3)hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->;4)hexopyranoside [ACD/IUPAC Name]
(2α,3β,8ξ,9ξ,14ξ,15β,22ξ,25R)-2,15-Dihydroxyspirostan-3-ylhexopyranosyl-(1->3)hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, (2α,3β,8ξ,9ξ,14ξ,15β,22ξ,25R)-2,15-dihydroxyspirostan-3-yl O-hexopyranosyl-(1->3)-O-hexopyranosyl-(1->2)-O-[pentopyranosyl-(1->3)]-O-hexopyranosyl-(1->4)- [ACD/Index Name]
Hexopyranosyl-(1->3)hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside de (2α,3β,8ξ,9ξ,14ξ,15β,22ξ,25R)-2,15-dihydroxyspirostan-3-yle [French] [ACD/IUPAC Name]

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

NSC23471 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 285.1±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 455 Å2
Polarizability: 113.0±0.5 10-24cm3
Surface Tension: 93.2±5.0 dyne/cm
Molar Volume: 772.6±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form