(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]oxane-3,4,5-triol
PubChem CID: 162989611
Connections displayed (default: 10).
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| Topological Polar Surface Area | 118.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C17H24O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SCOBOZBTFMWPOO-NQNKBUKLSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -1.263 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.297 |
| Compound Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-(3-methoxyprop-1-enyl)phenoxy]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 | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.2926002000000003 |
| Inchi | InChI=1S/C17H24O8/c1-22-7-3-4-10-5-6-11(12(8-10)23-2)24-17-16(21)15(20)14(19)13(9-18)25-17/h3-6,8,13-21H,7,9H2,1-2H3/t13-,14-,15+,16-,17-/m1/s1 |
| Smiles | COCC=CC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Humifusa (Plant) Rel Props:Source_db:cmaup_ingredients