Goshonoside F6
PubChem CID: 131752396
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| Compound Synonyms | Goshonoside F6, CHEBI:180838, 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-5-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]oxane-3,4,5-triol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 199.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CCCCC2C1CCCCCCC1CCCC(CCC2CCCC2)C1 |
| Np Classifier Class | Labdane diterpenoids |
| Deep Smiles | OCCOCCC5O))O))OCCOCOC/C=C/CCCC=C)CCCC6C)CCCC6C)CO)))O))))))))))))C)))))CCC6O))O))O |
| Heavy Atom Count | 43.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F6 is found in fruits. |
| Scaffold Graph Node Level | CC1CCC2CCCCC2C1CCCCCOC1CCCC(COC2CCCO2)O1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 976.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-5-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]oxane-3,4,5-triol |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 0.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H52O12 |
| Scaffold Graph Node Bond Level | C=C1CCC2CCCCC2C1CCC=CCOC1CCCC(COC2CCCO2)O1 |
| Inchi Key | NUDLZKKCTSSWNM-MHWRWJLKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | Goshonoside F6, goshonoside f6 |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CO, COC(C)OC |
| Compound Name | Goshonoside F6 |
| Kingdom | Organic compounds |
| Exact Mass | 616.346 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 616.346 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 616.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C31H52O12/c1-16(5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-33)10-12-40-28-27(39)25(37)24(36)20(43-28)14-41-29-26(38)23(35)19(13-32)42-29/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+ |
| Smiles | C/C(=C\COC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)/CCC3C(=C)CCC4C3(CCC(C4(C)CO)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