ChemSpider 2D Image | Convallasaponin A | C44H72O18

Convallasaponin A

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID17331957

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(1β,3β,5β,25S)-3,17-Dihydroxyspirostan-1-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,5β,25S)-3,17-Dihydroxyspirostan-1-yl-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Convallasaponin A
β-D-Glucopyranoside, (1β,3β,5β,25S)-3,17-dihydroxyspirostan-1-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-6-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-désoxy-β-D-glucopyranoside de (1β,3β,5β,25S)-3,17-dihydroxyspirostan-1-yle [French] [ACD/IUPAC Name]
(25S)-3β,17α-dihydroxy-5β-spiorstan-1β-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-β-D-quinovopyranoside
  • Miscellaneous

    • Chemical Class:

      A steroid saponin that consists of (1<stereo>beta</stereo>,3<stereo>beta</stereo>,5<stereo>beta</stereo>,25<stereo>S</stereo>)-spirostan-1,3,17-triol attached to a <stereo>beta</stereo>-<stereo>D</ste reo>-glucopyranosyl-(1<arrow>right</arrow>2)-[<stereo>beta</stereo>-<stereo>D</stereo>-xylopyranosyl-(1<arrow>right</arrow>3)]-6-deoxy-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl moiety at position 1 via a glycosidic linkage. It is isolated from the rhizomes of <ital>Convallaria majalis</ital> and exhibits significant cytotoxicity against human submandibular gland carcinoma (HSG) cells . ChEBI CHEBI:65657
      A steroid saponin that consists of (1beta,3beta,5beta,25S)-spirostan-1,3,17-triol attached to a beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-6-deoxy-beta-D-glucopyranosyl moiety at posit ion 1 via a glycosidic linkage. It is isolated from the rhizomes of Convallaria majalis and exhibits significant cytotoxicity against human submandibular gland carcinoma (HSG) cells. ChEBI CHEBI:65657
      A steroid saponin that consists of (1beta,3beta,5beta,25S)-spirostan-1,3,17-triol attached to a beta-D-glucopyranosyl-(1right2)-[beta-D-xylopyranosyl-(1right3)]-6-deoxy-beta-D-glucopyranosyl moiety at position 1 via a glycosidic linkage. It is isolated from the rhizomes of Convallaria majalis and exhibits significant cytotoxicity against human submandibular gland carcinoma (HSG) cells; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65657

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: 1.628
Molar Refractivity: 216.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.93
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 98.93
Polar Surface Area: 276 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 609.4±5.0 cm3

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