ChemSpider 2D Image | Gypenoside LI | C42H72O14

Gypenoside LI

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID31125993

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2α,3β,12β,20R)-2,12,20-Trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2α,3β,12β,20R)-2,12,20-Trihydroxydammar-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (2α,3β,12β,20R)-2,12,20-trihydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
94987-10-7 [RN]
Gypenoside LI
β-D-Glucopyranoside, (2α,3β,12β,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
β-D-Glucopyranoside, (2α,3β,12β,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 912.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.6±6.0 kJ/mol
Flash Point: 505.5±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.16
ACD/KOC (pH 5.5): 899.98
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.16
ACD/KOC (pH 7.4): 899.98
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 600.4±5.0 cm3

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