Panstroside
Basic information
- CAS
101418-19-3- Standard SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C45O[C@H]5C[C@@H]3C2)OC(C)[C@@H]1O- InChIKey
IIOXRDOIXIALNS-RJDNUYDTSA-N- Molecular formula
- C30H44O10
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.2934476
Names & identifiers
- Preferred name
- Panstroside
- IUPAC
- 3-[(3S,5S,7S,10S,12R,14R,15R,18R)-7-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Names & synonyms
PanstrosidePanstrosid [German]PanstrosidSarverogenin-beta,D-digitalosid [German]Sarverogenin-beta,D-digitalosid5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-D-galactopyranosyl)oxy)-7-beta,8-epoxy-11-alpha,14-hydroxy-101418-19-3RefChem:367859SNGYOYQDRUXLSU-UHFFFAOYSA-N
Database identifiers
- CAS
101418-19-3- PubChem CID
- 58328
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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