ChemSpider 2D Image | tanghinin | C32H46O10

tanghinin

  • Molecular FormulaC32H46O10
  • Average mass590.702 Da
  • Monoisotopic mass590.309082 Da
  • ChemSpider ID16736053

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,7β)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,7β)-3-[(2-O-Acetyl-6-desoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,7β)-3-[(2-O-Acétyl-6-désoxy-3-O-méthyl-α-L-glucopyranosyl)oxy]-14-hydroxy-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
25390-16-3 [RN]
3b-[(2-O-Acetyl-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-7b,8epoxy-14-hydroxy-5b-card-20(22)-enolide
Card-20(22)-enolide, 3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7,8-epoxy-14-hydroxy-, (3β,5β,7β)- [ACD/Index Name]
tanghinin
3-((2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopranosyl)oxy)tanghinigenin
3-β-O-(2'-O-acetyl-α-L-thevetosyl)-14β-hydroxy-7,8-epoxy-5β-card-20(22)-enolide

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

358J7D3ZXI [DBID]
UNII:358J7D3ZXI [DBID]
UNII-358J7D3ZXI [DBID]
  • Miscellaneous

    • Chemical Class:

      A cardenolide glycoside that is tanghinigenin attached to a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl residue at position 3 via a glycosidc linkage. Isolated from Cerbera manghas, it exhi bits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer. ChEBI CHEBI:66192

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 229.0±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.75
ACD/KOC (pH 5.5): 459.23
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.75
ACD/KOC (pH 7.4): 459.23
Polar Surface Area: 133 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 444.7±5.0 cm3

Click to predict properties on the Chemicalize site


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