Palmatoside A
Basic information
- CAS
100899-58-9- Standard SMILES
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(OC1OC(CO)C(O)C(O)C1O)C1OC21- InChIKey
IXWXQMCMUKDVFM-UHFFFAOYSA-N- Molecular formula
- C26H32O12
- Average molar mass
- 536.5 g/mol
- Monoisotopic mass
- 536.18937645
Overview
Palmatoside E has been reported in Tinospora cordifolia and Eleutherococcus brachypus with data available.
Names & identifiers
- Preferred name
- Palmatoside A
- IUPAC
- 5-(furan-3-yl)-3,11-dimethyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
Names & synonyms
Palmatoside A100899-58-9RefChem:928529Palmatoside BPalmatoside EPalmatoside FSCHEMBL30382081DTXSID00905829105661-46-9105661-48-1105661-49-29,7-(Epoxymethano)-4H-oxireno(6,7)naphtho(2,1-c)pyran-4,11-dione, 2-(3-furanyl)-7-(beta-D-glucopyranosyloxy)dodecahydro-6a,9b-dimethyl-,(2S-(2alpha,4abeta,6abeta,7beta,7abeta,8abeta,9alpha,9abeta,9balpha))-
Show more names
2-(Furan-3-yl)-6a,9b-dimethyl-4,11-dioxodecahydro-2H-9,7-(epoxymethano)oxireno[6,7]naphtho[2,1-c]pyran-7(4H)-yl hexopyranoside9,7-(Epoxymethano)-4H-oxireno(6,7)naphtho(2,1-c)pyran-4,11-dione, 2-(3-furanyl)-7-(beta-D-glucopyranosyloxy)dodecahydro-6a,9b-dimethyl-, (2R-(2alpha,4aalpha,6aalpha,7alpha,7aalpha,8aalpha,9beta,9aalpha,9bbeta))-9,7-(Epoxymethano)-4H-oxireno(6,7)naphtho(2,1-c)pyran-4,11-dione, 2-(3-furanyl)-7-(beta-D-glucopyranosyloxy)dodecahydro-6a,9b-dimethyl-, 2S-(2alpha,4aalpha,6abeta,7beta,7abeta,8abeta,9alpha,9abeta,9balpha))-
Database identifiers
- CAS
100899-58-9、105661-46-9、105661-48-1、105661-49-2- PubChem CID
- 180932
- DTXSID
DTXSID00905829
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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