ChemSpider 2D Image | (3beta,25S)-Spirosol-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside | C45H73NO15

(3β,25S)-Spirosol-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID147795

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,25S)-Spirosol-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25S)-Spirosol-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3671-38-3 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,25S)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25S)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SOLAMARIN, β
β-D-Glucopyranoside, (3β,22β,25S)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1-2)-O-(6-deoxy-α-L-mannopyranosyl-(1-4))-
β-Solamarine

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

NSC 94735 [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: 1.619
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 6.58
ACD/KOC (pH 5.5): 20.67
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 218.23
ACD/KOC (pH 7.4): 685.96
Polar Surface Area: 238 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 625.4±5.0 cm3

Click to predict properties on the Chemicalize site


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