ChemSpider 2D Image | GB 2 (Garcinia) | C30H22O12

GB 2 (Garcinia)

  • Molecular FormulaC30H22O12
  • Average mass574.489 Da
  • Monoisotopic mass574.111145 Da
  • ChemSpider ID141659
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S,2'R,3R,3'R)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-2'-(3,4-Dihydroxyphényl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,8'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 2'-(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)- [ACD/Index Name]
18913-18-3 [RN]
GARCINIA BIFLAVONOID 2
GB 2 (Garcinia)
(2R,3R)-8-[(2S,3R)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-2,3-DIHYDRO-1-BENZOPYRAN-3-YL]-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE
(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-, (2S-(2α,3β(2'S*,3'S*)))-
14736-41-5 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

WII418YGAX [DBID]
UNII:WII418YGAX [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 972.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.5±3.0 kJ/mol
Flash Point: 325.4±27.8 °C
Index of Refraction: 1.787
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 347.52
ACD/KOC (pH 5.5): 2223.18
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 14.31
ACD/KOC (pH 7.4): 91.56
Polar Surface Area: 214 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 101.1±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

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