(9Xi,16α,17Beta)-16-Hydroxy-17-{(1S)-1-[(2R)-5-Hydroxy-1,5-Dimethyl-2-Piperidinyl]Ethyl}Androst-5-En-3-Yl Beta-D-Glucopyranoside

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Formula C34H57NO8
IUPAC Name (2r,3r,4s,5s,6r)-2-[[(3s,8s,9r,10r,13s,14s,16r,17r)-16-hydroxy-17-[(1s)-1-[(1s,2r,5s)-5-hydroxy-1,5-dimethyl-2-piperidyl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 607.818 g·mol−1
Heat of Formation -1672.3 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 755.74 Å 3
Surface Area 562.04 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey CXACCEOTKMZDPQ-JOINLJJBSA-N
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