beta-D-Glucopyranoside, (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl
Basic information
- CAS
27705-69-7- Standard SMILES
C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
HLORHOWZWQKXIN-HFJCBQSTSA-N- Molecular formula
- C24H34O7
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.23045342
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-3,4,5-triol
Names & synonyms
beta-D-Glucopyranoside, (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl27705-69-7
Database identifiers
- CAS
27705-69-7- PubChem CID
- 147177
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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