ChemSpider 2D Image | (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-beta-D-galactopyranoside | C48H78O18

(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID24534083

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]-6-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-désoxy-β-D-galactopyranoside de (3β,16β)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
152580-79-5 [RN]
Buddlejasaponin Ivb
stellarinpin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 1040.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.3±6.0 kJ/mol
Flash Point: 583.0±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 235.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 185.81
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.39
ACD/KOC (pH 7.4): 185.80
Polar Surface Area: 298 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 659.3±5.0 cm3

Click to predict properties on the Chemicalize site


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