ChemSpider 2D Image | ASPARANIN B | C45H74O17

ASPARANIN B

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID390472

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,5β,25S)-Spirostan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,25S)-Spirostan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside de (3β,5β,25S)-spirostan-3-yle [French] [ACD/IUPAC Name]
84633-34-1 [RN]
ASPARANIN B
Shatavarin IV
β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->2)]- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
113982-32-4 [RN]
Sarsasapogenin 3-O-4G-rhamnosylsophoroside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Z905922Y1P [DBID]
C08912 [DBID]
UNII:Z905922Y1P [DBID]
UNII-Z905922Y1P [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 219.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.65
ACD/KOC (pH 5.5): 1313.29
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.65
ACD/KOC (pH 7.4): 1313.29
Polar Surface Area: 256 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 628.5±5.0 cm3

Click to predict properties on the Chemicalize site


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