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Chemical structure of 11-Deoxymogroside V

GC76390

11-Deoxymogroside V

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

11-Deoxymogroside V is a cucurbitane triterpene glycoside

ChemicalCAS1707161-17-8MW1271.44FormulaC60H102O28
CAS number
1707161-17-8
Molecular weight
1271.44
Formula
C60H102O28
InChIKey
FXMONPOKYCDPKD-KUWQHOJOSA-N
Catalogue number
GC76390
Brand
GLPBIO
Computed properties PubChem CID 102236129 · XLogP -2.3 · TPSA 456 Ų · H-bond donors 18
XLogP
-2.3
TPSA
456 Ų
H-bond donors
18
H-bond acceptors
28
Rotatable bonds
20
Heavy atoms
88

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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(CC[C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C

Computed descriptors from PubChem (CID 102236129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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