ChemSpider 2D Image | Dioscin | C45H72O16

Dioscin

  • Molecular FormulaC45H72O16
  • Average mass869.044 Da
  • Monoisotopic mass868.482056 Da
  • ChemSpider ID106524

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(+)-Dioscin
(25R)-Spirost-5-en-3b-yl O-6-Deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-b-D-glucopyranoside
(3β,25R)-Spirost-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,25R)-Spirost-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]
19057-60-4 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Collettiside III
Dioscin
Diosgenin Bis-a-L-rhamnopyranosyl-(1®2 And 1®4)-b-D-Glucopyranoside
Diosgenin bis-α-L-rhamnopyranosyl-(1->2,1->4)-β-D-glucopyranoside
More...

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

3B95U4OLWV [DBID]
19057-60-4 60478-68-4 [DBID]
C08897 [DBID]
CCRIS 4123 [DBID]
UNII:3B95U4OLWV [DBID]
  • Experimental Physico-chemical Properties
  • 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 diosgenin via a glycosidic linkage. ChEBI CHEBI:74023
      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 diosgenin via a glycosidic linkage. ChEBI CHEBI:74023
      A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1right4)-[alpha-L-Rha-(1right2; )]-beta-D-Glc attached to position 3 of diosgenin via a glycosidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74023

    • Bio Activity:

      Dioscin(CCRIS 4123; Collettiside III) is a natural steroid saponin derived from several plants, showing potent anti-cancer effect against a variety of tumor cell lines. MedChem Express http://www.medchemexpress.com/Taxifolin.html

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: 1.614
Molar Refractivity: 217.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10724.71
ACD/KOC (pH 5.5): 26701.73
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10724.54
ACD/KOC (pH 7.4): 26701.32
Polar Surface Area: 236 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 623.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement