Basic information
- CAS
34336-01-1- Standard SMILES
CC1(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3- InChIKey
YCCXOTBTLJGELG-WYQRMNKDSA-N- Molecular formula
- C26H44O7
- Average molar mass
- 468.6 g/mol
Overview
Creticoside B has been reported in Lindsaea javanensis, Pteris dactylina, and Pteris multifida with data available.
Names & identifiers
- Preferred name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4R,7R,9R,10R,13R,14R)-14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4R,7R,9R,10R,13R,14R)-14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
- English name
- 2β-(β-D-Glucopyranosyloxy)-16-hydroxykaurane
- Molecular formula
- C26H44O7
- Molecular weight
- 468.62336
Names & synonyms
CHEMBL4091113Creticoside B2β-(β-D-Glucopyranosyloxy)-16-hydroxykaurane
Database identifiers
- CAS
34336-01-1- ChEMBL
CHEMBL4091113- Nikkaji
- J17.460B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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