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Chemical structure of Gypsogenin-3-O-glucuronide

GC38792

Gypsogenin-3-O-glucuronide

Also known as (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Gypsogenin-3-O-glucuronide is a ubiquitous saponin precursor in plants of the genus Gypsophila

ChemicalCAS96553-02-5MW660.83FormulaC37H56O10
CAS number
96553-02-5
Molecular weight
660.83
Formula
C37H56O10
Solubility
DMSO : 100 mg/mL (151·32 mM; Need ultrasonic)
InChIKey
LHZZULHOQSQSJN-UPGAAKEKSA-N
Catalogue number
GC38792
Brand
GLPBIO
Computed properties PubChem CID 21626375 · XLogP 5.1 · TPSA 160 Ų · H-bond donors 4
XLogP
5.1
TPSA
160 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
47

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)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O

Computed descriptors from PubChem (CID 21626375), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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