Leptabiside C
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Basic information
- CAS
1900703-81-2- Standard SMILES
CC(=O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)c1O- InChIKey
FUAIIEXBTCVGEO-SKCNKXEMSA-N- Molecular formula
- C29H34O15
- Average molar mass
- 622.6 g/mol
Names & identifiers
- Preferred name
- Leptabiside C
- IUPAC
- [(2R,3S,4R,5R,6S)-6-[3-acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
- English name
- Leptabiside C
- Molecular formula
- C29H34O15
- Molecular weight
- 622.58
Names & synonyms
Leptabiside C1900703-81-2orb1681091TN5642AKOS040762816H63562Ethanone, 1-[3-β-D-glucopyranosyl-2,4,6-trihydroxy-5-[6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-β-D-glucopyranosyl]phenyl]-
Database identifiers
- CAS
1900703-81-2
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Boiling point
- 784.2 · 784.2±60.0 °C(Predicted)
- Density
- 1.605 · 1.605±0.06 g/cm3(Predicted)
- pka
- 7.21 · 7.21±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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