(R)-Apiumetin glucoside
PubChem CID: 14033997
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| Compound Synonyms | (R)-Apiumetin glucoside, CHEBI:176002, (-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one, 2-prop-1-en-2-yl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-7-one |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | VPAPSBNFWBXZLU-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one, (R)-Apiumetin glucoside, (R)-Apiumetin O-b-D-glucopyranoside, (R)-Apiumetin O-b-D-glucoside, (R)-Apiumetin O-glucoside |
| Heavy Atom Count | 29.0 |
| Compound Name | (R)-Apiumetin glucoside |
| Description | Constituent of Apium graveolens. (R)-Apiumetin glucoside is found in wild celery and green vegetables. |
| Exact Mass | 406.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 406.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-prop-1-en-2-yl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3 |
| Smiles | CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H22O9 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all