ChemSpider 2D Image | Protodioscin | C51H84O22

Protodioscin

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID390467

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

(3β,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
55056-80-9 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,22R,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
Protodioscin
β-D-Glucopyranoside, (3β,22β,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]- [ACD/Index Name]
(3?,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopy
(3β,22R,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside
[55056-80-9] [RN]
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furost-5-en-3β,22,26-triol
More...

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

D0LC3PH24P [DBID]
C08907 [DBID]
  • Miscellaneous

    • Chemical Class:

      A spirostanyl glycoside that consists of the trisaccharide <stereo>alpha</stereo>-<stereo>L</stereo>-Rha-(1<arrow>right</arrow>4)-[<stereo>alpha</stereo>-<stereo>L</stereo>-Rha-(1<arrow>right</arrow>2 )]-<stereo>beta</stereo>-<stereo>D</stereo>-Glc attached to position 3 of 26-(<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyloxy)-3<stereo>beta</stereo>,22-dihydroxyfurost-5-ene via a glycosid ic linkage. Found in several plant species including yams, asparagus and funugreek. ChEBI CHEBI:8588
      A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5-ene via a glycosidic linkage. Found in several plant species including yams, asparagus and funugreek. ChEBI CHEBI:8588
      A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1right4)-[alpha-L-Rha-(1right2; )]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5 -ene via a glycosid; ic linkage. Found in several plant species including yams, asparagus and funugreek. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8588

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 254.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.99
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 98.99
Polar Surface Area: 346 Å2
Polarizability: 100.9±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 713.9±5.0 cm3

Click to predict properties on the Chemicalize site


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