(2S)-5,7,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
PubChem CID: 162920111
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIUHCQDWGHJIMP-ZETCQYMHSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.212 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.908 |
| Compound Name | (2S)-5,7,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.022550666666666 |
| Inchi | InChI=1S/C18H16O6/c1-7-18(2,3)14-11(23-7)6-10(21)13-15(22)12-8(19)4-5-9(20)16(12)24-17(13)14/h4-7,19-21H,1-3H3/t7-/m0/s1 |
| Smiles | C[C@H]1C(C2=C(O1)C=C(C3=C2OC4=C(C=CC(=C4C3=O)O)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marrubium Velutinum (Plant) Rel Props:Source_db:cmaup_ingredients