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Chemical structure of Foenumoside B

GC71941

Foenumoside B

Also known as [(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(acetyloxymethyl)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate

Foenumoside B is a triterpene saponin isolated from Lysimachia foenum-graecum

ChemicalCAS877661-00-2MW1217.39FormulaC60H96O25
CAS number
877661-00-2
Molecular weight
1217.39
Formula
C60H96O25
InChIKey
KVLOEUJTCWCQEM-JAWZDEPWSA-N
Catalogue number
GC71941
Brand
GLPBIO
Computed properties PubChem CID 162936607 · XLogP 0.6 · TPSA 389 Ų · H-bond donors 13
XLogP
0.6
TPSA
389 Ų
H-bond donors
13
H-bond acceptors
25
Rotatable bonds
16
Heavy atoms
85

SMILES C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)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]([C@@H](O9)C)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O

Computed descriptors from PubChem (CID 162936607), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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