ChemSpider 2D Image | Soyasaponin Bd | C48H76O19

Soyasaponin Bd

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID65014381

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β)-24-Hydroxy-22-oxoolean-12-en-3-yl β-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->;2)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-24-Hydroxy-22-oxoolean-12-en-3-yl-β-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->;2)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
135272-91-2 [RN]
Acide β-D-glucopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronique de (3β)-24-hydroxy-22-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-22-one, 3-[[O-β-D-glucopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy]-24-hydroxy-, (3β)- [ACD/Index Name]
Soyasaponin Bd
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Sandosaponin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1055.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.9±6.0 kJ/mol
Flash Point: 301.0±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 234.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 662.3±5.0 cm3

Click to predict properties on the Chemicalize site


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