ChemSpider 2D Image | beta-D-Glucopyranosyl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-C-[(5xi,9xi,13xi,16alpha,17xi,18alpha)-16-hydroxy-13,28-epoxyolean-11-en-3-yl]-alpha-D-glucopyranoside | C48H78O17

β-D-Glucopyranosyl 6-deoxy-α-L-mannopyranosyl-(1->2)-1-C-[(5ξ,9ξ,13ξ,16α,17ξ,18α)-16-hydroxy-13,28-epoxyolean-11-en-3-yl]-α-D-glucopyranoside

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID2300926

  • defined stereocentres - 20 of 25 defined stereocentres

More details:

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

6-Désoxy-α-L-mannopyranosyl-(1->2)-1-C-[(5ξ,9ξ,13ξ,16α,17ξ,18α)-16-hydroxy-13,28-époxyoléan-11-én-3-yl]-α-D-glucopyranoside de β-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-D-glucopyranosyl O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-C-[(5ξ,9ξ,13ξ,16α,17ξ,18α)-13,28-epoxy-16-hydroxyolean-11-en-3-yl]- [ACD/Index Name]
β-D-Glucopyranosyl 6-deoxy-α-L-mannopyranosyl-(1->2)-1-C-[(5ξ,9ξ,13ξ,16α,17ξ,18α)-16-hydroxy-13,28-epoxyolean-11-en-3-yl]-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranosyl-6-desoxy-α-L-mannopyranosyl-(1->2)-1-C-[(5ξ,9ξ,13ξ,16α,17ξ,18α)-16-hydroxy-13,28-epoxyolean-11-en-3-yl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-2-[(2R,4S,5R,13S,18S)-2-HYDROXY-4,5,9,9,13,20,20-HEPTAMETHYL-24-OXAHEXACYCLO[15.5.2.0–,–?.0?,–?.0?,–?.0?,–]TETRACOS-15-EN-10-YL]-6-(HYDROXYMETHYL)-2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]OXY}-6-METHYLOXANE-3,4,5-TRIOL
20736-08-7 [RN]
Saikosaponin C
β-D-Glucopyranoside, (3β,4α,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1-4)-O-β-D-glucopyranosyl-(1-6)-

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: 1.634
Molar Refractivity: 232.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1002.97
ACD/KOC (pH 5.5): 4893.78
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1002.97
ACD/KOC (pH 7.4): 4893.76
Polar Surface Area: 278 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 651.2±5.0 cm3

Click to predict properties on the Chemicalize site


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