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Chemical structure of Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside]

GC62003

Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside]

Also known as 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside] is a cardenolide isolated from the root barks of Periploca sepium

ChemicalCAS1253421-94-1MW696.82FormulaC36H56O13
CAS number
1253421-94-1
Molecular weight
696.82
Formula
C36H56O13
InChIKey
KWBPKUMWVXUSCA-LGEKFDLWSA-N
Catalogue number
GC62003
Brand
GLPBIO
Computed properties PubChem CID 102041439 · XLogP -0.4 · TPSA 194 Ų · H-bond donors 6
XLogP
-0.4
TPSA
194 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
49

SMILES C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Computed descriptors from PubChem (CID 102041439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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