ChemSpider 2D Image | Saikosaponin BK1 | C48H78O17

Saikosaponin BK1

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID390518

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β,16α)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16α)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl-6-desoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
110352-77-7 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside de (3β,16α)-16,28-dihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
Saikosaponin BK1
β-D-Glucopyranoside, (3β,16α)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]

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

C08976 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1012.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.4±6.0 kJ/mol
Flash Point: 565.9±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 234.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 225.46
ACD/KOC (pH 5.5): 1681.34
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.46
ACD/KOC (pH 7.4): 1681.33
Polar Surface Area: 278 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 662.2±5.0 cm3

Click to predict properties on the Chemicalize site


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