ChemSpider 2D Image | (1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-4-Hydroxy-1-methoxy-2a,12a-dimethyl-3-(2-methyl-1-propen-1-yl)-3,4,5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadecahydro-2aH-2,5-dioxacyclopenta[1,7]ind eno[2,1-a]phenanthren-10-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-alpha-L-mannopyranosyl]-beta-D-glucopyranoside | C48H68O16

(1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-4-Hydroxy-1-methoxy-2a,12a-dimethyl-3-(2-methyl-1-propen-1-yl)-3,4,5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadecahydro-2aH-2,5-dioxacyclopenta[1,7]ind eno[2,1-a]phenanthren-10-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC48H68O16
  • Average mass901.044 Da
  • Monoisotopic mass900.450745 Da
  • ChemSpider ID57641777

  • defined stereocentres - 21 of 22 defined stereocentres

More details:

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

(1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-4-Hydroxy-1-methoxy-2a,12a-dimethyl-3-(2-methyl-1-propen-1-yl)-3,4,5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadecahydro-2aH-2,5-dioxacyclopenta[1,7]ind ;eno[2,1-a]phenanthren-10-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-4-Hydroxy-1-methoxy-2a,12a-dimethyl-3-(2-methyl-1-propen-1-yl)-3,4,5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadecahydro-2aH-2,5-dioxacyclopenta[1,7]ind ;eno[2,1-a]phenanthren-10-yl-2-O-[6-desoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[6-Désoxy-4-O-(4-méthoxybenzoyl)-α-L-mannopyranosyl]-β-D-glucopyranoside de (1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-4-hydroxy-1-méthoxy-2a,12a-diméthyl-3-(2-méthyl-1-propén-1-yl)-3,4, 5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadécahydro-2aH-2,5-dioxacyclopenta[1,7]indéno[2,1-a]phénanthrén-10-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2aR,3R,4R,5aS,6aS,6bR,10R,12aR,12bS,14bR)-2a,3,5a,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14b-hexadecahydro-4-hydroxy-1-methoxy-2a,12a-dimethyl-3-(2-methyl-1-propen-1-yl)-1H,4H- 2,5-dioxacyclopent[1,7]indeno[2,1-a]phenanthren-10-yl 2-O-[6-deoxy-4-O-(4-methoxybenzoyl)-α-L-mannopyranosyl]- [ACD/Index Name]
174867-68-6 [RN]
Saundersioside B

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 228.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36923.45
ACD/KOC (pH 5.5): 64693.14
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36922.59
ACD/KOC (pH 7.4): 64691.65
Polar Surface Area: 222 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 650.9±5.0 cm3

Click to predict properties on the Chemicalize site


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