ChemSpider 2D Image | (3beta,5alpha,25R)-12-Oxospirostan-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside | C45H72O19

(3β,5α,25R)-12-Oxospirostan-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside

  • Molecular FormulaC45H72O19
  • Average mass917.042 Da
  • Monoisotopic mass916.466797 Da
  • ChemSpider ID103884845

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,5α,25R)-12-Oxospirostan-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5α,25R)-12-Oxospirostan-3-yl-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
56316-35-9 [RN]
Spirostan-12-one, 3-[[O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl]oxy]-, (3β,5α,25R)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside de (3β,5α,25R)-12-oxospirostan-3-yle [French] [ACD/IUPAC Name]
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Agavasaponin C'
Agavoside C

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 220.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.62
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.62
Polar Surface Area: 293 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 622.2±5.0 cm3

Click to predict properties on the Chemicalize site


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