ChemSpider 2D Image | (3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)-9-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho [1,2-h]isochromen-5-yl beta-D-glucopyranoside | C48H78O19

(3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)-9-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho [1,2-h]isochromen-5-yl β-D-glucopyranoside

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID35014687

  • defined stereocentres - 24 of 26 defined stereocentres

More details:

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

(3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)-9-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho [1,2-h]isochromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)-9-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphth o[1,2-h]isochromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-Furo[3,4-b]phenanthro[2,1-d]pyran-1-one, 9-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)octadecahydro-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-bute n-1-yl)-, (3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)- [ACD/Index Name]
β-D-Glucopyranoside de (3R,3aR,5R,5aR,5bR,9S,11aR,13aR,13bS)-9-{[6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-3a,5a,5b,8,8,11a-hexaméthyl-3-(3-méthyl-2-butén-1-yl)-1-oxooctadéca hydro-1H-furo[3,4-c]naphto[1,2-h]isochromén-5-yle [French] [ACD/IUPAC Name]
(1R,2R,3R,5R,6R,9S,10R,14R,17S)-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}m
(1R,2R,3R,5R,6R,9S,10R,14R,17S)-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,7-dioxapentacyclo[11.8.0.0??,???.0?,?.0???,???]henicosan-8-one
143672-61-1 [RN]
Mabioside A

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1021.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.0±6.0 kJ/mol
Flash Point: 289.6±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 236.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.47
ACD/KOC (pH 5.5): 804.25
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.47
ACD/KOC (pH 7.4): 804.25
Polar Surface Area: 293 Å2
Polarizability: 93.8±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 681.6±5.0 cm3

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