Goshonoside F2
PubChem CID: 13855763
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| Compound Synonyms | Goshonoside F2, 90851-25-5, CHEBI:169785, beta-D-Glucopyranoside, [(1S,2R,4aS,5R,8aS)-decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl, 2-[[2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2C(CCC3CCCCC3)CCCC2C1 |
| Np Classifier Class | Labdane diterpenoids |
| Deep Smiles | OC/C=C/CCCC=C)CCCC6C)CCCC6C)COCOCCO))CCC6O))O))O))))))))O))))))))))))C |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F2 is found in fruits. |
| Scaffold Graph Node Level | CC1CCC2C(COC3CCCCO3)CCCC2C1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H44O8 |
| Scaffold Graph Node Bond Level | C=C1CCC2C(COC3CCCCO3)CCCC2C1 |
| Inchi Key | CWDBCXIAEGDANA-XNTDXEJSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | Goshonoside F2, goshonoside f2 |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CO, COC(C)OC |
| Compound Name | Goshonoside F2 |
| Kingdom | Organic compounds |
| Exact Mass | 484.304 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.304 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 484.6 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+ |
| Smiles | C/C(=C\CO)/CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)CO)O)O)O)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Diterpene glycosides |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Rubus Foliolatus (Plant) Rel Props:Reference:ISBN:9788185042145