Basic information
- CAS
119767-17-8- Standard SMILES
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O- InChIKey
WXLJRYSLYQBMGF-UHFFFAOYSA-N- Molecular formula
- C34H56O12
- Average molar mass
- 656.8 g/mol
- Monoisotopic mass
- 656.37717722
Names & identifiers
- Preferred name
- 14-Hydroxy-20-oxopregnan-3-yl 6-deoxy-4-o-hexopyranosyl-3-o-methylhexopyranoside
- IUPAC
- 1-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)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]ethanone
Names & synonyms
14-hydroxy-20-oxopregnan-3-yl 6-deoxy-4-o-hexopyranosyl-3-o-methylhexopyranosideDTXSID20923106
Database identifiers
- CAS
119767-17-8- PubChem CID
- 189697
- DTXSID
DTXSID20923106
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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