Cynanoside F
Basic information
- CAS
1800029-50-8- Standard SMILES
CO[C@H]1C[C@H](O[C@@H]2CC3=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]4[C@@]3(C)C[C@H]2O)[C@H]56)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1- InChIKey
BRAQGYOYQRQKSH-QDSGIGJGSA-N- Molecular formula
- C41H62O15
- Average molar mass
- 794.9 g/mol
Names & identifiers
- Preferred name
- Cynanoside F
- IUPAC
- (4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
- English name
- Cynanoside F
- Molecular formula
- C41H62O15
- Molecular weight
- 794.93
Names & synonyms
Cynanoside F1800029-50-8orb1681412TN5316AKOS040762553FS-74016H-2,3,5-Trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one, 10-[(O-2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-11-hydroxy-2a,12...
Database identifiers
- CAS
1800029-50-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,490
Physicochemical properties
- Boiling point
- 908.9 · 908.9±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 13.5 · 13.50±0.70(Predicted)
Chemistry & industry
Applications
UsesCynanoside F is a natural product[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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