2-[(5,7-Dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 5317339
Connections displayed (default: 10).
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| Topological Polar Surface Area | 140.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 0.0 |
| Molecular Formula | C17H24O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OFPJQOYOGGSWNY-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -2.712 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.86 |
| Compound Name | 2-[(5,7-Dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0165002000000003 |
| Inchi | InChI=1S/C17H24O8/c1-7-2-10(4-8-3-9(19)5-11(20)13(7)8)24-17-16(23)15(22)14(21)12(6-18)25-17/h3,5,7,10,12,14-23H,2,4,6H2,1H3 |
| Smiles | CC1CC(CC2=C1C(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients