ChemSpider 2D Image | Saikosaponin A | C42H68O13

Saikosaponin A

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID23089611

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,9ξ,13ξ,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-O-β-L-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,9ξ,13ξ,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-3-O-β-L-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-β-L-glucopyranosyl-β-D-galactopyranoside de (3β,9ξ,13ξ,16β)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
Saikosaponin A
β-D-Galactopyranoside, (3β,9ξ,13ξ,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-β-L-glucopyranosyl- [ACD/Index Name]
20736-09-8 [RN]
MFCD00075675 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 893.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.5±6.0 kJ/mol
Flash Point: 494.3±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.60
ACD/KOC (pH 5.5): 1508.60
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.60
ACD/KOC (pH 7.4): 1508.58
Polar Surface Area: 208 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 574.1±5.0 cm3

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