ChemSpider 2D Image | (1S,2R,7S,10R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.0~1,14~.0~2,11~.0~5,10~.0~15,20~]tricos-7-yl alpha-L-arabinofuranosyl-(1->2)-[beta -D-glucopyranosyl-(1->3)]-beta-D-glucopyranoside | C47H76O18

(1S,2R,7S,10R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl α-L-arabinofuranosyl-(1->2)-[β -D-glucopyranosyl-(1->3)]-β-D-glucopyranoside

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID10165193

  • defined stereocentres - 21 of 25 defined stereocentres

More details:

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

(1S,2R,7S,10R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl α-L-arabinofuranosyl-(1->2)-[β -D-glucopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,7S,10R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl-α-L-arabinofuranosyl-(1->2)-[β -D-glucopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-β-D-glucopyranoside de (1S,2R,7S,10R,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentaméthyl-17-(2-méthyl-1-propén-1-yl)-19,21-dioxahexacyclo[ 18.2.1.01,14.02,11.05,10.015,20]tricos-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2R,4aR,6aS,6bR,10S,12aR)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propen-1-yl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl O-α-L -arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]

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: 1.626
Molar Refractivity: 229.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.99
ACD/KOC (pH 5.5): 1716.05
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.99
ACD/KOC (pH 7.4): 1716.04
Polar Surface Area: 276 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 649.4±5.0 cm3

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