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Search term: 8804178 (Found by CSID)
ChemSpider 2D Image | Ys-II | C39H64O13

Ys-II

  • Molecular FormulaC39H64O13
  • Average mass740.918 Da
  • Monoisotopic mass740.434692 Da
  • ChemSpider ID8804178

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5β,25R)-Spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β,25R)-Spirostan-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,5β,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
41059-79-4 [RN]
Ys-II
β-D-Galactopyranoside, (3β,5β,25R)-spirostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
smilagenin 3-O-β-D-glucopyranosyl-(1->2)-β-D-galactopyranoside
Timosaponin A3
  • Miscellaneous

    • Chemical Class:

      A spirostanyl glycoside that is smilagenin attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-galactopyranosyl resi due at position 3 via a glycosidic linkage. Isolated from <ital>Yucca gloriosa</ital> and <ital>Yucca guatemalensis</ital>, it exhibits antifungal activity. ChEBI CHEBI:66497
      A spirostanyl glycoside that is smilagenin attached to a beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Yucca gloriosa and Yucca gua temalensis, it exhibits antifungal activity. ChEBI CHEBI:66497
      A spirostanyl glycoside that is smilagenin attached to a beta-D-glucopyranosyl-(1right2)-beta-D-galactopyranosyl resi; due at position 3 via a glycosidic linkage. Isolated from Yucca gloriosa and Yucc a guatemalensis, it exhibits antifungal activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66497

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

Density: 1.4±0.1 g/cm3
Boiling Point: 862.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.6±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 187.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.01
ACD/KOC (pH 5.5): 1268.79
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 152.01
ACD/KOC (pH 7.4): 1268.77
Polar Surface Area: 197 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 542.4±5.0 cm3

Click to predict properties on the Chemicalize site


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