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Chemical structure of Mogroside II-A

GC36641

Mogroside II-A

Also known as (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2-methylheptan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Mogroside II-A is a natural product isolated from Siraitia grosvenorii

ChemicalCAS1613527-65-3MW801.01FormulaC42H72O14
CAS number
1613527-65-3
Molecular weight
801.01
Formula
C42H72O14
Solubility
DMSO ： 100 mg/mL (124·84 mM; Need ultrasonic)
InChIKey
NZDCGZOHJTWGOX-KZQQMABOSA-N
Catalogue number
GC36641
Brand
GLPBIO
Computed properties PubChem CID 138911437 · XLogP 2.2 · TPSA 239 Ų · H-bond donors 10
XLogP
2.2
TPSA
239 Ų
H-bond donors
10
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
56

SMILES C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]3CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O)C)O)C)C

Computed descriptors from PubChem (CID 138911437), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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