Basic information
- CAS
4418-21-7- Standard SMILES
COC1C(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C(OC2OC(CO)C(O)C(O)C2O)C1OC- InChIKey
JZEOYNBUBJAENE-UHFFFAOYSA-N- Molecular formula
- C37H56O15
- Average molar mass
- 740.8 g/mol
- Monoisotopic mass
- 740.36192108
Names & identifiers
- Preferred name
- Glucostrebloside
- IUPAC
- 3-[3,4-dimethoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- English name
- Card-20(22)-enolide, 3-[(6-deoxy-4-O-hexopyranosyl-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, stereoisomer
- Molecular formula
- C37H56O15
- Molecular weight
- 740.83
Names & synonyms
GlucostreblosideBRN 16764744418-21-7RefChem:346132DTXSID009631813-[(6-Deoxy-4-O-hexopyranosyl-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 3-[(6-deoxy-4-O-hexopyranosyl-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, stereoisomer
Database identifiers
- CAS
4418-21-7- PubChem CID
- 199567
- DTXSID
DTXSID00963181
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,380
Physicochemical properties
- Boiling point
- 888.2 · 888.2±65.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…