ChemSpider 2D Image | (3beta,25R)-14-Hydroxyspirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside | C44H70O17

(3β,25R)-14-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID57620922
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(3β,25R)-14-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-14-Hydroxyspirost-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1111088-89-1 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,25R)-14-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-14-hydroxyspirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-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,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
(3?,25R)-14-Hydroxyspirost-5-en-3-yl O-6-deoxy-?-L-mannopyranosyl-(1?2)-O-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside
14-Hydroxy sprengerinin C
AONBXCCYURJCAY-LSXBRKLISA-N
Hydroxy Sprengerinin C, 14-

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: 1.628
Molar Refractivity: 214.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.41
ACD/KOC (pH 5.5): 2518.15
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.41
ACD/KOC (pH 7.4): 2518.14
Polar Surface Area: 256 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 604.2±5.0 cm3

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