Acovenoside C
Basic information
- CAS
28474-86-4- Standard SMILES
CO[C@H]1[C@@H](O)[C@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
FOCJNVIRCFDVTH-JWBCMHTRSA-N- Molecular formula
- C42H66O19
- Average molar mass
- 875 g/mol
- Monoisotopic mass
- 874.41982987
Names & identifiers
- Preferred name
- Acovenoside C
- IUPAC
- 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-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
28474-86-4RefChem:1076045Acovenoside CBRN 1280019
Database identifiers
- CAS
28474-86-4- PubChem CID
- 206705
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 10
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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