Diandraflavone
PubChem CID: 21580252
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| Compound Synonyms | diandraflavone, CHEBI:65754, (6R)-2,6-anhydro-1,5-dideoxy-6-{2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl}-D-arabino-hexitol, (6R)-2,6-anhydro-1,5-dideoxy-6-(2-(4-(beta-D-glucopyranosyloxy)phenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl)-D-arabino-hexitol, Q27134236, 6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one, 745070-23-9 |
|---|---|
| Topological Polar Surface Area | 205.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | GJQWEXQXMZQZBX-BFPHBORISA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 41.0 |
| Compound Name | Diandraflavone |
| Exact Mass | 576.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 576.184 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 938.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 576.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | 6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H32O13/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(40-19)12-3-5-13(6-4-12)39-28-27(36)26(35)24(33)20(10-29)41-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28-/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O)O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H32O13 |
- 1. Outgoing r'ship
FOUND_INto/from Drymaria Diandra (Plant) Rel Props:Source_db:npass_chem_all