ChemSpider 2D Image | (3beta,16alpha,21beta,22alpha)-22-Acetoxy-16,28-dihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)-[beta-D-galactopyrano syl-(1->2)]-beta-D-glucopyranosiduronic acid | C60H94O26

(3β,16α,21β,22α)-22-Acetoxy-16,28-dihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyrano syl-(1->2)]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC60H94O26
  • Average mass1231.373 Da
  • Monoisotopic mass1230.603394 Da
  • ChemSpider ID17588724

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,16α,21β,22α)-22-Acetoxy-16,28-dihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyrano ;syl-(1->2)]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16α,21β,22α)-22-Acetoxy-16,28-dihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyran ;osyl-(1->2)]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3β,16α,21β,22α)-22-(acetyloxy)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->2)]-β-D-glucop ;yranuronosyl]oxy]-16,28-dihydroxyolean-12-en-21-yl ester, (2E)- [ACD/Index Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranosiduronique de (3β,16α,21β,22α)-22-acétoxy-16,28-dihydroxy ;-21-{[(2E)-2-méthyl-2-butenoyl]oxy}oléan-12-én-3-yle [French] [ACD/IUPAC Name]
942924-90-5 [RN]
Floratheasaponin G

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: 1.622
Molar Refractivity: 298.1±0.4 cm3
#H bond acceptors: 26
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 17.75
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 407 Å2
Polarizability: 118.2±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 845.9±5.0 cm3

Click to predict properties on the Chemicalize site


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