5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-11-oxo-
Basic information
- CAS
101418-20-6- Standard SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4C(=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)OC(C)[C@@H]1O- InChIKey
OFHFAWOWNDPPEH-ACXZCSKNSA-N- Molecular formula
- C30H44O9
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 548.29853298
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-11-oxo-
- IUPAC
- 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
DesarosideBRN 0071919101418-20-64-18-00-02546 (Beilstein Handbook Reference)5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-11-oxo-RefChem:301357SCHEMBL30092794DTXSID909061633-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-11-oxocard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-14-hydroxy-11-oxo-5beta-card-20(22)-enolide
Database identifiers
- CAS
101418-20-6- PubChem CID
- 58329
- DTXSID
DTXSID90906163
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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