(2S)-10-hydroxy-5-methoxy-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one
PubChem CID: 162923747
Connections displayed (default: 10).
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| Topological Polar Surface Area | 126.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 564.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-10-hydroxy-5-methoxy-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GLRRPMNERDFOHV-AWEZNQCLSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.427 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.483 |
| Compound Name | (2S)-10-hydroxy-5-methoxy-2-(1,2,3-trihydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9295427037037047 |
| Inchi | InChI=1S/C19H18O8/c1-25-13-6-12-10(5-14(26-12)19(24,7-20)8-21)18-15(13)16(23)9-3-2-4-11(22)17(9)27-18/h2-4,6,14,20-22,24H,5,7-8H2,1H3/t14-/m0/s1 |
| Smiles | COC1=C2C(=C3C[C@H](OC3=C1)C(CO)(CO)O)OC4=C(C2=O)C=CC=C4O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients