ChemSpider 2D Image | alvaradoin I | C27H28O11

alvaradoin I

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID20567911

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-α-L-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-α-L-lyxopyranose [ACD/IUPAC Name]
(5R)-1-O-Acétyl-3-O-(3-méthyl-2-butenoyl)-5-[(9R)-4,5,9-trihydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényl]-α-L-lyxopyranose [French] [ACD/IUPAC Name]
alvaradoin I
α-L-Lyxopyranose, 5-C-[(9R)-9,10-dihydro-4,5,9-trihydroxy-2-methyl-10-oxo-9-anthracenyl]-3-O-(3-methyl-1-oxo-2-buten-1-yl)-, 1-acetate, (5R)- [ACD/Index Name]
(10R)-C-(1-O-acetyl-3-O-senecioyl)-β-L-lyxopyranosyl-1,8,10-trihydroxy-3-methylanthracen-9-one
(5R)-1-O-acetyl-3-O-(3-methylbut-2-enoyl)-5-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-α-L-lyxopyranose
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-<element>O</element>-acetyl-3-<element>O</element>-senecioyl-<stereo>alpha</stereo>-<stere o>L</stereo>-lyxopyranosyl moiety at position 10 via a <element>C</element>-glycosidic linkage (the 10<stereo>R</stereo> stereoisomer). It is isolated from the leaves of <ital>Alvaradoa haitiensis</it al> and exhibits cytotoxicity against human oral epidermoid carcinoma. ChEBI CHEBI:65394
      A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L</stereo>-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 1 0R stereoisomer). It is isolated from the leaves of <ital>Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65394
      A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereo isomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. ChEBI CHEBI:65394

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 262.4±26.4 °C
Index of Refraction: 1.672
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.61
ACD/KOC (pH 5.5): 4586.15
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 217.85
ACD/KOC (pH 7.4): 1078.21
Polar Surface Area: 180 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

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