ChemSpider 2D Image | marianoside B | C37H62O6

marianoside B

  • Molecular FormulaC37H62O6
  • Average mass602.885 Da
  • Monoisotopic mass602.454651 Da
  • ChemSpider ID9846362

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-24-Methylenelanost-8-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-24-Methylenlanost-8-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
marianoside B
β-D-Glucopyranoside de (3β)-24-méthylènelanost-8-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-24-methylenelanost-8-en-3-yl [ACD/Index Name]
(3β)-24-methylidenelanost-8-en-3-yl β-D-glucopyranoside
24-methylene-lanoesta-8(9)-ene 3-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A triterpene glycoside that is lanost-8-ene substituted by a methylidene group at position 24 and a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyloxy group at position 3. Isolated from the wh ole plant of <ital>Silybum marianum</ital>, it exhibits inhibitory activity against chymotrypsin. ChEBI CHEBI:66675
      A triterpene glycoside that is lanost-8-ene substituted by a methylidene group at position 24 and a beta-D-glucopyranosyloxy group at position 3. Isolated from the wh; ole plant of Silybum marianum, i t exhibits inhibitory activity against chymotrypsin. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66675
      A triterpene glycoside that is lanost-8-ene substituted by a methylidene group at position 24 and a beta-D-glucopyranosyloxy group at position 3. Isolated from the whole plant of Silybum marianum, it exhibits inhibitory activity against chymotrypsin. ChEBI CHEBI:66675

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.46
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 653275.50
ACD/KOC (pH 5.5): 505844.09
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 653271.19
ACD/KOC (pH 7.4): 505840.75
Polar Surface Area: 99 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 534.8±5.0 cm3

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