Goshonoside F7
PubChem CID: 131752351
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| Compound Synonyms | Goshonoside F7, CHEBI:191630, 2-[(Z)-5-[5,5,8a-trimethyl-2-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)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 | CC1CCC2CC(CC3CCCCC3)CCC2C1CCCCCCC1CCCCC1 |
| Np Classifier Class | Labdane diterpenoids |
| Deep Smiles | OCCOCOC/C=CCCCC=C)CCCC6C)CCCC6C)C))OCOCCO))CCC6O))O))O)))))))))))))))))/C)))))CCC6O))O))O |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F7 is found in fruits. |
| Scaffold Graph Node Level | CC1CCC2CC(OC3CCCCO3)CCC2C1CCCCCOC1CCCCO1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1000.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-5-[5,5,8a-trimethyl-2-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H54O12 |
| Scaffold Graph Node Bond Level | C=C1CCC2CC(OC3CCCCO3)CCC2C1CCC=CCOC1CCCCO1 |
| Inchi Key | HILPXFUUVMCHIZ-WJDWOHSUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | Goshonoside F7, goshonoside f7 |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C, C=C(C)C, CO, COC(C)OC |
| Compound Name | Goshonoside F7 |
| Kingdom | Organic compounds |
| Exact Mass | 630.362 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 630.362 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 630.8 |
| 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/C32H54O12/c1-16(11-13-41-29-27(39)25(37)23(35)19(14-33)42-29)6-8-18-17(2)7-9-21-31(3,4)22(10-12-32(18,21)5)44-30-28(40)26(38)24(36)20(15-34)43-30/h11,18-30,33-40H,2,6-10,12-15H2,1,3-5H3/b16-11- |
| Smiles | C/C(=C/COC1C(C(C(C(O1)CO)O)O)O)/CCC2C(=C)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)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