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Chemical structure of Oleanolic acid 28-O-β-D-glucopyranoside

GC61998

Oleanolic acid 28-O-β-D-glucopyranoside

Also known as [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Oleanolic acid 28-O-β-D-glucopyranoside (β-D-Glucopyranosyl oleanolate) is a saponin isolated from the roots of Achyranthes bidentata Blume

ChemicalCAS14162-53-9MW618.84FormulaC36H58O8
CAS number
14162-53-9
Molecular weight
618.84
Formula
C36H58O8
Solubility
DMSO ： 50 mg/mL (80·80 mM; Need ultrasonic)
InChIKey
KMKFOIBUKYMVRJ-YHFBEQRYSA-N
Catalogue number
GC61998
Brand
GLPBIO
Computed properties PubChem CID 14189384 · XLogP 5.7 · TPSA 137 Ų · H-bond donors 5
XLogP
5.7
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
44

SMILES C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O

Computed descriptors from PubChem (CID 14189384), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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