Perilloside C
PubChem CID: 73815070
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| Compound Synonyms | Perilloside C, CHEBI:172108, DTXSID401175612, [trans-4-(1-Methylethenyl)cyclohexyl]methyl I(2)-D-glucopyranoside, 2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol, 146763-94-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | OCCOCOCCCCCCC6))C=C)C))))))))CCC6O))O))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Perilla frutescens (perilla). Perilloside C is found in fats and oils. |
| Scaffold Graph Node Level | C1CCC(COC2CCCCO2)CC1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H28O6 |
| Scaffold Graph Node Bond Level | C1CCC(COC2CCCCO2)CC1 |
| Inchi Key | MONAHUOUARCHLM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Perilloside C, perilloside c |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO, COC(C)OC |
| Compound Name | Perilloside C |
| Kingdom | Organic compounds |
| Exact Mass | 316.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3 |
| Smiles | CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Terpene glycosides |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference:ISBN:9788185042145