6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin
PubChem CID: 122391238
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEBI:131754, 677021-29-3, 6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin, apigenin 6-C-alpha-L-arabinoside-8-C-beta-L-arabinoside, 6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)apigenin, 6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin, 6-C-(alpha-L-arabinopyranosyl)-8-C-(beta-L-arabinopyranosyl)apigenin |
|---|---|
| Topological Polar Surface Area | 227.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 890.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -2.1 |
| Is Pains | False |
| Molecular Formula | C25H26O13 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDVNKZYMYPZDAI-DKEQBBAASA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 534.137 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 534.137 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 534.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4339929473684223 |
| Inchi | InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17+,18+,21+,22+,24-,25+/m0/s1 |
| Smiles | C1[C@@H]([C@H]([C@H]([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](CO5)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients