ChemSpider 2D Image | (3beta,5alpha,22xi,25R)-12-Oxospirostan-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C39H62O14

(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC39H62O14
  • Average mass754.901 Da
  • Monoisotopic mass754.413940 Da
  • ChemSpider ID2307087

  • defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5α,22ξ,25R)-12-Oxospirostan-3-yl-4-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,5α,22ξ,25R)-12-oxospirostan-3-yle [French] [ACD/IUPAC Name]
Spirostan-12-one, 3-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-, (3β,5α,22ξ,25R)- [ACD/Index Name]
56857-66-0 [RN]
75216-37-4 [RN]
Agavoside B
Spirostan-12-one, 3-((4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy)-, (3-β,5-α,25R)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 892.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.3±6.0 kJ/mol
Flash Point: 268.9±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 187.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.91
ACD/KOC (pH 5.5): 138.79
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.91
ACD/KOC (pH 7.4): 138.79
Polar Surface Area: 214 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 539.1±5.0 cm3

Click to predict properties on the Chemicalize site


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