ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-xylopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C53H86O22

(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-xylopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID65905

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-xylopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->4)-β-D-xylopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->4)-β-D-xylopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-xylopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
(4As,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
155569-77-0 [RN]
3-O-(β-D-Glucopyranosyl(1-6)-β-D-glucopyranosyl(1-4)-α-L-rhamnopyranosyl(1-4)-β-D-xylopyranosyl)-3β,23-dihydroxy δ(12)-oleanen-28-carboxylic acid
Olean-12-en-28-oic acid, 3-((O-β-D-glucopyranosyl-(1-6)-O-β-D-glucopyranosyl-(1-4)-O-6-deoxy-α-L-mannopyranosyl-(1-4)-β-D-xylopyranosyl)oxy)-23-hydroxy-, (3β,4α)-
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1.fwdarw.6)-O-β-D-glucopyranosyl-(1.fwdarw.4)-O-6-deoxy-α-L-mannopyranosyl-(1.fwdarw.4)-β-D-xylopyranosyl)oxy]-23-hydroxy-, (3β,4α)-
Transsylvanoside A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS057185 [DBID]
AIDS-057185 [DBID]

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: 1.633
Molar Refractivity: 262.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 57.40
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 734.8±5.0 cm3

Click to predict properties on the Chemicalize site


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