Basic information
- CAS
177794-61-5- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@H](O)[C@H](O)[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
VINQZMMOIPTITQ-QWYWWIDCSA-N- Molecular formula
- C48H78O18
- Average molar mass
- 943.1 g/mol
- Monoisotopic mass
- 942.51881563
Names & identifiers
- Preferred name
- Transsylvanoside-C
- IUPAC
- (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Names & synonyms
Transsylvanoside-CTriterpenoid Glycoside177794-61-5Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-Olean-12-en-28-oic acid, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.6)-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-6-deoxy-.alpha.-L-mannopyranosyl)oxy]-23-hydroxy-, (3.beta.,4.alpha.)-
Database identifiers
- CAS
177794-61-5- PubChem CID
- 467830
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 295 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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