ChemSpider 2D Image | (1beta,3beta,23S,24S,25S)-3,23-Dihydroxy-15-oxo-1-{[2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}spirost-5-en-24-yl 6-deoxy-beta-
D-gulopyranoside | C55H82O26

(1β,3β,23S,24S,25S)-3,23-Dihydroxy-15-oxo-1-{[2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}spirost-5-en-24-yl 6-deoxy-β- D-gulopyranoside

  • Molecular FormulaC55H82O26
  • Average mass1159.224 Da
  • Monoisotopic mass1158.509399 Da
  • ChemSpider ID57641797
  • defined stereocentres - 32 of 32 defined stereocentres


More details:






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

(1β,3β,23S,24S,25S)-3,23-Dihydroxy-15-oxo-1-{[2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}spirost-5-en-24-yl 6-deoxy-β- ; D-gulopyranoside [ACD/IUPAC Name]
(1β,3β,23S,24S,25S)-3,23-Dihydroxy-15-oxo-1-{[2,3,4-tri-O-acetyl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}spirost-5-en-24-yl-6-desoxy-bet
 a-D-gulopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranoside de (1β,3β,23S,24S,25S)-3,23-dihydroxy-15-oxo-1-{[2,3,4-tri-O-acétyl-6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]o ; xy}spirost-5-én-24-yle [French] [ACD/IUPAC Name]
Spirost-5-en-15-one, 24-[(6-deoxy-β-D-gulopyranosyl)oxy]-3,23-dihydroxy-1-[[O-2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]- , (1β,3β,23S,24S,25S)- [ACD/Index Name]
882661-10-1 [RN]
Ornithosaponin D

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: 1.614
Molar Refractivity: 272.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.22
ACD/KOC (pH 5.5): 913.99
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.21
ACD/KOC (pH 7.4): 913.98
Polar Surface Area: 370 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 780.8±5.0 cm3

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