4',5,7-trihydroxy-3-methoxyflavone-7-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
PubChem CID: 51042404
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| Compound Synonyms | CHEBI:68348, 4',5,7-trihydroxy-3-methoxyflavone-7-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside, CHEMBL1689263, DTXSID401106194, Q27136846, 1266247-20-4, 4H-1-Benzopyran-4-one, 7-[(6-O-I+/--L-arabinofuranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-, 5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 234.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | CKDKWYQPVPNIAZ-SLJRIFGCSA-N |
| Fcsp3 | 0.4444444444444444 |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 42.0 |
| Compound Name | 4',5,7-trihydroxy-3-methoxyflavone-7-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 594.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 969.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 594.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -2.6121411619047636 |
| Inchi | InChI=1S/C27H30O15/c1-37-25-20(33)17-13(30)6-12(7-14(17)40-24(25)10-2-4-11(29)5-3-10)39-27-23(36)21(34)19(32)16(42-27)9-38-26-22(35)18(31)15(8-28)41-26/h2-7,15-16,18-19,21-23,26-32,34-36H,8-9H2,1H3/t15-,16+,18-,19+,21-,22+,23+,26+,27+/m0/s1 |
| Smiles | COC1=C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)C5=CC=C(C=C5)O |
| Xlogp | -0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O15 |
- 1. Outgoing r'ship
FOUND_INto/from Lepisorus Contortus (Plant) Rel Props:Source_db:cmaup_ingredients