ChemSpider 2D Image | LANATOSIDE B | C49H76O20

LANATOSIDE B

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID65480

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,5β,16β)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14
 ,16-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}
 -14,16-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-{[β-D-Glucopyranosyl-(1->4)-3-O-acétyl-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}
 -14,16-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
17575-21-2 [RN]
241-545-6 [EINECS]
Card-20(22)-enolide, 3-[[O-β-D-glucopyranosyl-(1->4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]o xy]-14,16-dihydroxy-, (3β,5β,16β)- [ACD/Index Name]
LANATOSIDE B
[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
[17575-21-2] [RN]
3-((O-β-D-Glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide (3β,5β,16β)-
More...

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

3822U6I4Z0 [DBID]
BRN 0078394 [DBID]
NSC 7535 [DBID]
UNII:3822U6I4Z0 [DBID]
UNII-3822U6I4Z0 [DBID]
  • Experimental Physico-chemical Properties

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: 1.609
Molar Refractivity: 239.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.60
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.60
Polar Surface Area: 288 Å2
Polarizability: 95.0±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 692.6±5.0 cm3

Click to predict properties on the Chemicalize site


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