ChemSpider 2D Image | bacopaside X | C46H74O17

bacopaside X

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID8804917

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
94443-88-6 [RN]
bacopaside X
α-L-Arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-α-L-arabinopyranoside de (3β,16β,23R)-20-hydroxy-16,23:16,30-diépoxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
(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,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(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
(3?,?16?,?23R)?-?16,?23:16,?30-?diepoxy-?20-?hydroxydammar-?24-?en-?3-?yl O-??-?L-?arabinofuranosyl-?(1?2)?-?O-?[?-?D-?glucopyranosyl-?(1?3)?]?-?-?L-?Arabinopyranoside
185351-19-3 [RN]
BacopasideVII
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

P1040545PX [DBID]
UNII:P1040545PX [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: 1.621
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: 4.64
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.94
ACD/KOC (pH 5.5): 1731.66
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.94
ACD/KOC (pH 7.4): 1731.65
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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