(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
PubChem CID: 3390254
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside, 2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxane-3,4,5-triol, Sarsasaponin monoglucoside, (25S)-5beta-spirostan-3beta-ol 3-O-beta-D- glucoside, (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranoside, AKOS037514866, 25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 41.0 |
| Description | Constituent of aubergine (Solanum melongena). Melongoside A is found in fruits and eggplant. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 979.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxane-3,4,5-triol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal glycosides |
| Molecular Formula | C33H54O8 |
| Inchi Key | ZNEIIZNXGCIAAL-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Melongoside A, Capsicoside A2 |
| Substituent Name | Steroidal saponin, Polycyclic triterpenoid, Triterpenoid, Spirostane skeleton, O-glycosyl compound, Glycosyl compound, Oxane, Monosaccharide, Saccharide, Oxolane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic heteropolycyclic compound |
| Compound Name | (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 578.382 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 578.382 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 578.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 17.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all