Basic information
- CAS
89202-76-6- Standard SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC3OC(CO)C(O)C(O)C3O)C3C(C)C(O)C4(O)OCC13C42- InChIKey
JHMBJTQGIQFIOP-UHFFFAOYSA-N- Molecular formula
- C26H36O13
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.2155912
Overview
Glaucarubolone 15-O-beta-D-glucopyranoside is a quassinoid.
Names & identifiers
- Preferred name
- Glaucarubolone 15-O-beta-D-glucopyranoside
- IUPAC
- 4,5,17-trihydroxy-6,14,18-trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Names & synonyms
Glaucarubolone 15-O-beta-D-glucopyranosideNSC36674615-GlucoseglaucarubindneCHEBI:177945GLAUCARUBINONE, 15-GLYCOSIDENSC-366746Glaucarubolone 15-O-b-D-glucopyranoside4,5,17-trihydroxy-6,14,18-trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Database identifiers
- CAS
89202-76-6- PubChem CID
- 435281
- ChEBI
CHEBI:177945
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
Experimental & physicochemical properties
Melting Point252 - 254 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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