ChemSpider 2D Image | 6-Deoxy-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta,5xi,9xi,18xi)-3-{[2-O-(6-deoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyrano se | C59H96O26

6-Deoxy-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyrano se

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID5140866

  • defined stereocentres - 27 of 33 defined stereocentres

More details:

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

6-Deoxy-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyrano se [ACD/IUPAC Name]
6-Desoxy-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-desoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyra nose [German] [ACD/IUPAC Name]
6-Désoxy-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-désoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyra nose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-[[2-O-(6-deoxy-L-mannopyranosyl)-L-arabinopyranosyl]oxy]-23-hydroxy-28-oxoolean-12-en -28-yl]- [ACD/Index Name]
Hederacoside C

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

DivK1c_006676 [DBID]
KBio1_001620 [DBID]
KBio2_002212 [DBID]
KBio2_004780 [DBID]
KBio2_007348 [DBID]
KBio3_002744 [DBID]
KBioGR_002185 [DBID]
KBioSS_002212 [DBID]
SPBio_001685 [DBID]
SpecPlus_000580 [DBID]
More...

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: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.19
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.46
ACD/KOC (pH 7.4): 382.19
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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