Sugereoside
PubChem CID: 3082543
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| Compound Synonyms | Sugereoside, Sugeroside, 41743-57-1, Abbeokutone 17-O-beta-glucopyranoside, Kaurane-16,17-diol-3-one 17-O-glucopyranoside, 14-hydroxy-5,5,9-trimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one, Kauran-3-one, 17-(beta-D-glucopyranosyloxy)-16-hydroxy-, 8-hydroxy-4,4,11b-trimethyl-8-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)dodecahydro-6a,9-methanocyclohepta[a]naphthalen-3(2H)-one, DTXSID80961948, RBA74357, AKOS040762381, DA-67834, 16-Hydroxy-3-oxokauran-17-yl hexopyranoside |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2C(CCC34CC(CCC5CCCCC5)C(CCC23)C4)C1 |
| Np Classifier Class | Kaurane and Phyllocladane diterpenoids |
| Deep Smiles | OCCOCOCCO)CCCC5CCC6CCCC%10))CC)C)C=O)CC6)))))C))))))))))))CCC6O))O))O |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCC2C(CCC34CC(CCC23)C(COC2CCCCO2)C4)C1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 817.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxy-5,5,9-trimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H42O8 |
| Scaffold Graph Node Bond Level | O=C1CCC2C(CCC34CC(CCC23)C(COC2CCCCO2)C4)C1 |
| Inchi Key | XOCBTSXQUYSHOW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | sugereoside |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CO, COC(C)OC |
| Compound Name | Sugereoside |
| Exact Mass | 482.288 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 482.288 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 482.6 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H42O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-17,19-22,27,29-32H,4-13H2,1-3H3 |
| Smiles | CC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Gmelini (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Gmelinii (Plant) Rel Props:Reference:ISBN:9788172362089