Patriridoside G
PubChem CID: 71460286
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| Compound Synonyms | Patriridoside G, (2R,3R,4S,5S,6R)-2-(((3aR,6aS)-6-methyl-3-methylidene-3a,4-dihydrocyclopenta(b)furan-6a-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3R,4S,5S,6R)-2-[[(3aR,6aS)-6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CHEMBL2152445 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[[(3aR,6aS)-6-methyl-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6a-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C16H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXZYVDAASBLBQM-HQHBRHBDSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.931 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.137 |
| Compound Name | Patriridoside G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 328.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5786382000000003 |
| Inchi | InChI=1S/C16H24O7/c1-8-6-22-16(9(2)3-4-10(8)16)7-21-15-14(20)13(19)12(18)11(5-17)23-15/h3,10-15,17-20H,1,4-7H2,2H3/t10-,11-,12-,13+,14-,15-,16-/m1/s1 |
| Smiles | CC1=CC[C@H]2[C@@]1(OCC2=C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all