Completing data — usually done within a minute
Basic information
- Standard SMILES
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O- InChIKey
XFXHYKZIZSNVSQ-TZRAUYBZSA-N- Molecular formula
- C59H96O29
- Average molar mass
- 1,269.388 g/mol
- Monoisotopic mass
- 1,268.60372705
Names & identifiers
- Preferred name
- Soyasaponin A1
- IUPAC
- 22beta-[(3-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-21beta,24-dihydroxyolean-12-en-3beta-yl beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
Database identifiers
- CAS
78693-94-4- PubChem CID
- 441950
- DTXSID
DTXSID301317162- ChEMBL
CHEMBL1762004- ChEBI
CHEBI:9210- Nikkaji
- J401.507J
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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