Basic information
- CAS
17669-76-0- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@@H]3[C@@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CCC43O)C2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
ZHXZFMUKNSGMQD-QQDDHVCESA-N- Molecular formula
- C29H44O10
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.2934476
Names & identifiers
- Preferred name
- Panoside
- IUPAC
- 3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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
Panoside17669-76-0BRN 16737413-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-11,14,19-trihydroxycard-20(22)-enolide (3beta,5alpha,11beta)-3-((3S,5S,8R,9S,10R,11S,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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-one3-[(3S,5S,8R,9S,10R,11S,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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-oneRefChem:3678583-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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-oneDTXSID409388333beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-11beta,14,19-trihydroxy-5alpha-card-20(22)-enolideCard-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-11,14,19-trihydroxy-, (3beta,5alpha,11beta)-3-[(6-Deoxyhexopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-enolide
Properties
Computed structural properties
- XLogP
- -0.3
- 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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