Tricin 5-glucoside
PubChem CID: 49800176
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| Compound Synonyms | Tricin 5-glucoside, 32769-00-9, 3',5'-Dimethoxy-4',7-dihydroxy-5-(beta-D-glucopyranosyloxy)flavone, 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, Tricin 5-Gucoside, 5-glucosyltricin, 5-Glc tricin, 5-O-glucosyltricin, tricin 5-beta-glucoside, 5-O-beta-glucosyltricin, 5-O-beta-D-glucosyltricin, tricin 5-beta-D-glucoside, tricin 5-O-beta-D-glucoside, 5-O-beta-D-glucopyranosyltricin, CHEMBL1224897, SCHEMBL23814999, CHEBI:131775, DTXSID801306499, tricin 5-O-beta-D-glucopyranoside, HY-N8320, EX-A10346, Tricin 5-O-I(2)-D-glucopyranoside, NS00097537, Tricin 5-glucoside, >=95% (LC/MS-UV), Q63392827, 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 185.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 762.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.3 |
| Molecular Formula | C23H24O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLSOTPIEFVBPBU-LDBVRRDLSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.44 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.541 |
| Compound Name | Tricin 5-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 492.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.127 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 492.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4951703142857156 |
| Inchi | InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all