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Chemical structure of Hosenkoside M

GC36253

Hosenkoside M

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

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

ChemicalCAS161016-51-9MW1111.27FormulaC53H90O24
CAS number
161016-51-9
Molecular weight
1111.27
Formula
C53H90O24
Solubility
DMSO ： 100 mg/mL (89·99 mM; Need ultrasonic)
InChIKey
NACOJBQGIGOFFX-FOFPIWDISA-N
Catalogue number
GC36253
Brand
GLPBIO
Computed properties PubChem CID 10396409 · XLogP -1.3 · TPSA 387 Ų · H-bond donors 15
XLogP
-1.3
TPSA
387 Ų
H-bond donors
15
H-bond acceptors
24
Rotatable bonds
14
Heavy atoms
77

SMILES C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)C)C)CO2

Computed descriptors from PubChem (CID 10396409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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