ChemSpider 2D Image | draconin B | C42H62O16

draconin B

  • Molecular FormulaC42H62O16
  • Average mass822.932 Da
  • Monoisotopic mass822.403809 Da
  • ChemSpider ID9106096
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(1β,3β,23S,24S)-3,23,24-Trihydroxyspirosta-5,25(27)-dien-1-yl 2-O-(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside [ACD/IUPAC Name]
(1β,3β,23S,24S)-3,23,24-Trihydroxyspirosta-5,25(27)-dien-1-yl-2-O-(2,3-di-O-acetyl-6-desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-(2,3-Di-O-acétyl-6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside de (1β,3β,23S,24S)-3,23,24-trihydroxyspirosta-5,25(27)-dién-1-yle [French] [ACD/IUPAC Name]
draconin B
α-L-Arabinopyranoside, (1β,3β,23S,24S)-3,23,24-trihydroxyspirosta-5,25(27)-dien-1-yl 2-O-(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(23S,24S)-spirosta-5,25(27)-diene-1β,3β,23,24-tetrol 1-O-{O-(2,3-di-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-α-L-arabinopyranosyl}

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 918.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.5±6.0 kJ/mol
Flash Point: 271.4±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 202.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.46
ACD/KOC (pH 5.5): 1634.08
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.46
ACD/KOC (pH 7.4): 1634.07
Polar Surface Area: 229 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 586.6±5.0 cm3

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