Basic information
- CAS
25817-75-8- Standard SMILES
C[C@]12[C@H](O)CC3C(CC[C@@H]4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1- InChIKey
CUAXLUAVLKYFFN-DIODYCJYSA-N- Molecular formula
- C29H44O10
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.2934476
Names & identifiers
- Preferred name
- Digoxigenin-beta-D-glucosid
- IUPAC
- 3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
Digoxigenin-beta-D-glucosid25817-75-8RefChem:1083570Digoxigenin-beta-D-glucosid [German]BRN 007119412-beta,14-Dihydroxy-3-beta-((beta-D-glucopyranosyl)oxy)-5-beta-card-20(22)-enolide5-beta-Card-20(22)-enolide, 3-beta-((beta-D-glucopyranosyl)oxy)-12-beta,14-dihydroxy-DTXSID609487173-(Hexopyranosyloxy)-12,14-dihydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(beta-D-glycero-Hexopyranosyl)oxy]-12beta,14-dihydroxy-5beta-card-20(22)-enolide
Database identifiers
- CAS
25817-75-8- PubChem CID
- 33178
- DTXSID
DTXSID60948717
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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