ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,16alpha)-3,16,23-trihydroxy-23,28-dioxoolean-12-en- 28-yl]-beta-D-glucopyranose | C60H94O30

β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-β-D-glucopyranosyl-(1->6)]-1-O-[(3β,16α)-3,16,23-trihydroxy-23,28-dioxoolean-12-en- 28-yl]-β-D-glucopyranose

  • Molecular FormulaC60H94O30
  • Average mass1295.370 Da
  • Monoisotopic mass1294.583008 Da
  • ChemSpider ID24623320

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

β-D-Glucopyranose, O-β-D-glucopyranosyl-(1->3)-O-[O-β-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl-(1->6)]-1-O-[(3β,16α)-3,16,23-tri hydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-β-D-glucopyranosyl-(1->6)]-1-O-[(3β,16α)-3,16,23-trihydroxy-23,28-dioxoolean-12-en- 28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-β-D-glucopyranosyl-(1->6)]-1-O-[(3β,16α)-3,16,23-trihydroxy-23,28-dioxoolean-12-en- 28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)-6-O-[(3S)-4-carboxy-3-hydroxy-3-méthylbutanoyl]-β-D-glucopyranosyl-(1->6)]-1-O-[(3β,16α)-3,16,23-trihydroxy-23,28-dioxooléan-12-én- 28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
3β,16α-dihydroxyolean-12-en-23α,28β-dioic acid 28-O-[β-D-glucopyranosyl(1->3)]{[β-D-glucopyranosyl(1->2)][β-D-6-O-((3S)-3-hydroxy-3-methylglutaryl)glucopyranosyl(1->6)]}-β-D-glucopyranoside
dianversicoside B
  • Miscellaneous

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 302.9±0.4 cm3
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 495 Å2
Polarizability: 120.1±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 831.6±5.0 cm3

Click to predict properties on the Chemicalize site


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