ChemSpider 2D Image | 26FG38011G | C46H74O17

26FG38011G

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID10228104

  • defined stereocentres - 24 of 24 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)]-α-L-arabinopyranoside [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)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
178064-13-6 [RN]
26FG38011G
Bacopasaponin C
BASCOPASAPONIN C
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-α-L-arabinopyranoside 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]
α-L-Arabinopyranoside, (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 ]pyran-10-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
(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]?pyran-?10-?yl O-??-?L-?arabinofuranosyl-?(1?2)?-?O-?[?-?D-?glucopyranosyl-?(1?3)?]?-?-?L-?Arabinopyranoside
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(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
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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: 1.621
Molar Refractivity: 223.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 256.82
ACD/KOC (pH 5.5): 1845.60
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.82
ACD/KOC (pH 7.4): 1845.60
Polar Surface Area: 256 Å2
Polarizability: 88.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 635.8±5.0 cm3

Click to predict properties on the Chemicalize site


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