ChemSpider 2D Image | (3'S,4'R,5'S)-2,3',4'-Trihydroxy-4a,5',6a,7-tetramethyl-2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9,9a,10,10a,10b,11-icosahydro-1H-spiro[pentaleno[2,1-a]phenanthrene-8,2'-pyran]-4-yl 6-deoxy-beta-D-allopyra nosyl-(1->2)-[beta-D-ribopyranosyl-(1->3)]-beta-D-ribopyranoside | C44H70O17

(3'S,4'R,5'S)-2,3',4'-Trihydroxy-4a,5',6a,7-tetramethyl-2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9,9a,10,10a,10b,11-icosahydro-1H-spiro[pentaleno[2,1-a]phenanthrene-8,2'-pyran]-4-yl 6-deoxy-β-D-allopyra nosyl-(1->2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID10142210

  • defined stereocentres - 16 of 27 defined stereocentres

More details:

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

(3'S,4'R,5'S)-2,3',4'-Trihydroxy-4a,5',6a,7-tetramethyl-2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9,9a,10,10a,10b,11-icosahydro-1H-spiro[pentaleno[2,1-a]phenanthrene-8,2'-pyran]-4-yl 6-deoxy-β-D-allopyra nosyl-(1->2)-[β-D-ribopyranosyl-(1->3)]-β-D-ribopyranoside [ACD/IUPAC Name]
β-D-Ribopyranoside, (3'S,4'R,5'S)-2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9,9a,10,10a,10b,11-eicosahydro-2,3',4'-trihydroxy-4a,5',6a,7-tetramethylspiro[pentaleno[2,1-a]phenanthrene-8(1H),2'-[2H]pyran]- 4-yl O-6-deoxy-β-D-allopyranosyl-(1->2)-O-[β-D-ribopyranosyl-(1->3)]- [ACD/Index Name]
Caudaside A

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: 1.636
Molar Refractivity: 214.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.94
ACD/KOC (pH 5.5): 952.61
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.94
ACD/KOC (pH 7.4): 952.61
Polar Surface Area: 267 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 596.9±5.0 cm3

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