(11S,12R,12As,13As)-2,3-Dihydroxy-8-Oxo-12-Vinyl-5,11,12,12A,13,13A-Hexahydro-6H,8H-Pyrano[4',3':4,5]Pyrido[2,1-A]Isoquinolin-11-Yl β-D-Glucopyranoside

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Formula C24H29NO10
IUPAC Name (11s,12r,12as,13as)-2,3-dihydroxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6h,8h-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-11-yl β-d-glucopyranoside
Molecular Mass 491.488 g·mol−1
Heat of Formation -1598.1 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 549.33 Å 3
Surface Area 445.67 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • demethylisoalangiside
InChIKey ODZVWJRTEQQVCO-ICBTVIENSA-N
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