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Search term: 10235500 (Found by CSID)

ChemSpider 2D Image | Ys-IV | C45H74O18

Ys-IV

  • Molecular FormulaC45H74O18
  • Average mass903.058 Da
  • Monoisotopic mass902.487488 Da
  • ChemSpider ID10235500
  • defined stereocentres - 27 of 27 defined stereocentres


More details:






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

(3β,5β,25R)-Spirostan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β,25R)-Spirostan-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
122620-12-6 [RN]
Ys-IV
β-D-Galactopyranoside, (3β,5β,25R)-spirostan-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside de (3β,5β,25R)-spirostan-3-yle [French] [ACD/IUPAC Name]
smilagenin 3-O-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside
  • Miscellaneous
    • Chemical Class:

      A spirostanyl glycoside that is smilagenin attached to a <element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>2)-[<stereo>beta</stereo>-<stereo>D</stereo> -glucopyranosyl-(1<arrow>right</arrow>3)]-<stereo>beta</stereo>-<stereo>D</stereo>-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from <ital>Yucca gloriosa</ital> and <ital> Yucca guatemalensis</ital>, it exhibits antifungal activity. ChEBI CHEBI:66498
      A spirostanyl glycoside that is smilagenin attached to a O-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Yucca gloriosa and Yucca guatemalensis, it exhibits antifungal activity. ChEBI CHEBI:66498
      A spirostanyl glycoside that is smilagenin attached to a O-beta-D-glucopyranosyl-(1right2)-[beta-D; -glucopyranosyl-(1right3)]-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. I solated from Yucca gloriosa and ; Yucca guatemalensis, it exhibits antifungal activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66498

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: 1.624
Molar Refractivity: 220.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.81
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 78.81
Polar Surface Area: 276 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 625.6±5.0 cm3

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