ChemSpider 2D Image | Clinopodiside A | C48H78O19

Clinopodiside A

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID32818292

  • 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->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
142809-89-0 [RN]
Clinopodiside A
β-D-Glucopyranoside, (3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-β-D-glucopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside de (3β,16β)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1073.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 178.0±6.0 kJ/mol
Flash Point: 602.9±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 237.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 101.76
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 101.76
Polar Surface Area: 318 Å2
Polarizability: 94.1±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 656.4±5.0 cm3

Click to predict properties on the Chemicalize site


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