ChemSpider 2D Image | Deltonin | C45H72O17

Deltonin

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID390460

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
55659-75-1 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Deltonin
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]- [ACD/Index Name]
(25R)-spirost-5en-3β-ol 3-O-α-L-rhamnopyranosyl-(1-2)-[β-D-glucopyranosyl-(1-4)]-β-D-glucopyranoside
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,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'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
(3?,?25R)?-?spirost-?5-?en-?3-?yl O-?6-?deoxy-??-?L-?mannopyranosyl-?(1?2)?-?O-?[?-?D-?glucopyranosyl-?(1?4)?]?-?-?D-?Glucopyranoside
3-O-(Rhaa1-2(Glcb1-4)Glcb)-(25R)-spirost-5en-3β-ol

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

C08894 [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: 1.623
Molar Refractivity: 219.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.94
ACD/KOC (pH 5.5): 1407.85
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.94
ACD/KOC (pH 7.4): 1407.84
Polar Surface Area: 256 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 621.0±5.0 cm3

Click to predict properties on the Chemicalize site


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