ChemSpider 2D Image | (2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-Hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno [2,1-b]pyran-2-yl 2-O-[6-deoxy-4-O-(4-hydroxybenzoyl)-alpha-L-mannopyranosyl]-beta-D-glucopyranoside | C46H66O15

(2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-Hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno [2,1-b]pyran-2-yl 2-O-[6-deoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC46H66O15
  • Average mass859.007 Da
  • Monoisotopic mass858.440186 Da
  • ChemSpider ID8503686

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-Hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno ;[2,1-b]pyran-2-yl 2-O-[6-deoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-Hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydronaphtho[2',1':4,5]indeno ;[2,1-b]pyran-2-yl-2-O-[6-desoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[6-Désoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside de (2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-9-hydroxy-6a-(hydroxyméthyl)-4a,7-diméthyl-8-(2-méthyl-1-propén-1-yl )-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadécahydronaphto[2',1':4,5]indéno[2,1-b]pyran-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,4aR,4bS,6aR,6bR,7S,8S,9R,10aS,11aS,11bR)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydro-9-hydroxy-6a-(hydroxymethyl)-4a,7-dimethyl-8-(2-methyl-1-propen-1-yl) naphth[2',1':4,5]indeno[2,1-b]pyran-2-yl 2-O-[6-deoxy-4-O-(4-hydroxybenzoyl)-α-L-mannopyranosyl]- [ACD/Index Name]
174867-66-4 [RN]
Saundersioside G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 975.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 284.4±27.8 °C
Index of Refraction: 1.634
Molar Refractivity: 219.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12727.29
ACD/KOC (pH 5.5): 30160.15
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10552.34
ACD/KOC (pH 7.4): 25006.13
Polar Surface Area: 234 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 614.1±5.0 cm3

Click to predict properties on the Chemicalize site


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