Basic information
- CAS
88195-69-1- Standard SMILES
CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C(O)C(O)[C@H]1O- InChIKey
RAWRNCRYFFPACC-LQSKBQQUSA-N- Molecular formula
- C29H44O9
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.29853298
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((D-fucopyranosyl)oxy)-5,14-dihydroxy-
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
88195-69-15-beta-CARD-20(22)-ENOLIDE, 3-beta-((D-FUCOPYRANOSYL)OXY)-5,14-DIHYDROXY-RefChem:1072684Ledienosid [German]LedienosidPeriplogenin-beta-D-fucosid [German]Periplogenin-beta-D-fucosid3-beta-((D-Fucopyranosyl)oxy)-5,14-dihydroxy-5-beta-card-20(22)-enolide
Database identifiers
- CAS
88195-69-1- PubChem CID
- 55787
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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