ChemSpider 2D Image | Cassiaside C | C27H32O15

Cassiaside C

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID58914105

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

10-Hydroxy-7-methoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
10-Hydroxy-7-methoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
10-hydroxy-7-methoxy-3-methyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-one
10-hydroxy-7-methoxy-3-methyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzo[g]isochromen-1-one
119170-52-4 [RN]
1H-Naphtho[2,3-c]pyran-1-one, 9-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl- [ACD/Index Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 10-hydroxy-7-méthoxy-3-méthyl-1-oxo-1H-benzo[g]isochromén-9-yle [French] [ACD/IUPAC Name]
Cassiaside C
10-hydroxy-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 932.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 308.8±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 234 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 101.9±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

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