ChemSpider 2D Image | (3beta,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-beta-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-(2xi)-beta-D-arabino-hexopyranoside | C48H78O18

(3β,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-arabino-hexopyranoside

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID24534042

  • defined stereocentres - 17 of 26 defined stereocentres

More details:

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

(3β,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
(3β,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-arabino-hexopyranoside de (3β,16β)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
β-D-arabino-Hexopyranoside, (3β,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-β-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-, (2ξ)- [ACD/Index Name]
20736-08-7 [RN]
MFCD00075673 [MDL number]
Saikosaponin C

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 234.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.81
ACD/KOC (pH 5.5): 642.55
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.81
ACD/KOC (pH 7.4): 642.54
Polar Surface Area: 287 Å2
Polarizability: 93.0±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 657.2±5.0 cm3

Click to predict properties on the Chemicalize site


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