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Chemical structure of 11-Oxomogroside IIIE

GC35052

11-Oxomogroside IIIE

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

11-Oxomogroside IIIE is a cucurbitane triterpene glycoside isolated from Lo Han Kuo (Siraitia grosvenori)

ChemicalCAS2096516-68-4MW961.14FormulaC48H80O19
CAS number
2096516-68-4
Molecular weight
961.14
Formula
C48H80O19
Solubility
Soluble in DMSO
InChIKey
QVTPQPDYCBHPCC-WTFJSKLNSA-N
Catalogue number
GC35052
Brand
GLPBIO
Computed properties PubChem CID 132606976 · XLogP 0.3 · TPSA 315 Ų · H-bond donors 12
XLogP
0.3
TPSA
315 Ų
H-bond donors
12
H-bond acceptors
19
Rotatable bonds
14
Heavy atoms
67

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(CC(=O)[C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C

Computed descriptors from PubChem (CID 132606976), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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