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Chemical structure of Hosenkoside A

GC33647

Hosenkoside A

Also known as (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2'-[(2S)-1-hydroxypropan-2-yl]-1,4a,10a,10b-tetramethylspiro[3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene-8,5'-oxane]-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Hosenkoside A is a baccharane glycoside isolated from the seeds of impatiens balsamina

ChemicalCAS156791-82-1MW979.15FormulaC48H82O20
CAS number
156791-82-1
Molecular weight
979.15
Formula
C48H82O20
Solubility
DMSO ： 50 mg/mL (51·06 mM; Need ultrasonic)
InChIKey
JUKFJOYCFLIWIA-MDQYKXRHSA-N
Catalogue number
GC33647
Brand
GLPBIO
Computed properties PubChem CID 102004530 · XLogP 0.2 · TPSA 328 Ų · H-bond donors 13
XLogP
0.2
TPSA
328 Ų
H-bond donors
13
H-bond acceptors
20
Rotatable bonds
12
Heavy atoms
68

SMILES C[C@@H](CO)[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO1

Computed descriptors from PubChem (CID 102004530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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