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Chemical structure of Onjisaponin Z

GC36808

Onjisaponin Z

Also known as (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Onjisaponin Z is a natural product isolated from Radix Polygalae

ChemicalCAS1078708-72-1MW1471.58FormulaC71H106O32
CAS number
1078708-72-1
Molecular weight
1471.58
Formula
C71H106O32
Solubility
DMSO ： 25 mg/mL (16·99 mM; Need ultrasonic)
InChIKey
BZKDCAIDWFPAGZ-ZZVFPCDUSA-N
Catalogue number
GC36808
Brand
GLPBIO
Computed properties PubChem CID 134715185 · XLogP -0.2 · TPSA 484 Ų · H-bond donors 15
XLogP
-0.2
TPSA
484 Ų
H-bond donors
15
H-bond acceptors
32
Rotatable bonds
21
Heavy atoms
103

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)OC(=O)[C@@]56CC[C@@]7(C(=CC[C@H]8[C@]7(CC[C@@H]9[C@@]8(C[C@@H]([C@@H]([C@@]9(C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)[C@@H]5CC(CC6)(C)C)CO)C)OC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)O)O)O

Computed descriptors from PubChem (CID 134715185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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