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Chemical structure of Suavissimoside R1

GC60346

Suavissimoside R1

Also known as (2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Suavissimoside R1, isolated from the roots of Rubus parvifollus, possesses potent neuroprotective activity and has the potential to treat anti-Parkinson's disease drug

ChemicalCAS95645-51-5MW680.82FormulaC36H56O12
CAS number
95645-51-5
Molecular weight
680.82
Formula
C36H56O12
InChIKey
YXSQSVWHKZZWDD-FPLSKCGGSA-N
Catalogue number
GC60346
Brand
GLPBIO
Computed properties PubChem CID 21626352 · XLogP 2.4 · TPSA 214 Ų · H-bond donors 8
XLogP
2.4
TPSA
214 Ų
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
48

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)C(=O)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Computed descriptors from PubChem (CID 21626352), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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