ChemSpider 2D Image | bacopaside II | C47H76O18

bacopaside II

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID8051944

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(1S,2R,5R,7S,10R,11R,14R,15S,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-arabinofuranos 
yl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,5R,7S,10R,11R,14R,15S,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-arabinofuranos 
yl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
382146-66-9 [RN]
bacopaside II
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-β-D-glucopyranoside de (1S,2R,5R,7S,10R,11R,14R,15S,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,8aR,10S,12aR,12bR,14aR,14bS)-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]py ran-10-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
23205-67-6 [RN]
BACOPASIDE II(P)

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

ZO6L404Y9T [DBID]
UNII:ZO6L404Y9T [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:
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

Click to predict properties on the Chemicalize site


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