Pregna-5,20-dien-3beta-yl beta-D-galactopyranoside
Basic information
- CAS
115952-25-5- Standard SMILES
C=C[C@H]1CCC2C3CC=C4CC(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3CC[C@@]21C- InChIKey
IUHXQFZAXDVYTB-SXEWAFQNSA-N- Molecular formula
- C27H42O6
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.29813906
Names & identifiers
- Preferred name
- Pregna-5,20-dien-3beta-yl beta-D-galactopyranoside
- IUPAC
- (2R,3R,4S,5R,6R)-2-[[(10R,13R,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
115952-25-5Pregna-5,20-dien-3beta-yl beta-D-galactopyranosideDTXSID70921874Pregna-5,20-dien-3-yl hexopyranosidebeta-D-Galactopyranoside, (3beta)-pregna-5,20-dien-3-yl(8xi,9xi,14xi)-Pregna-5,20-dien-3-yl beta-D-galactopyranoside
Database identifiers
- CAS
115952-25-5- PubChem CID
- 189341
- DTXSID
DTXSID70921874
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 783
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Compound notes
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