5-hydroxy-7-methoxy-2-[2-methoxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
PubChem CID: 46224885
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| Compound Synonyms | CHEMBL592523 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 164.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | PJZYAXBUMUMREC-CZIXKKEKSA-N |
| Fcsp3 | 0.3478260869565217 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 34.0 |
| Compound Name | 5-hydroxy-7-methoxy-2-[2-methoxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 476.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.132 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 744.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 476.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5-hydroxy-7-methoxy-2-[2-methoxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -2.9792260941176485 |
| Inchi | InChI=1S/C23H24O11/c1-30-10-6-11(25)18-12(26)8-16(32-15(18)7-10)19-13(31-2)4-3-5-14(19)33-23-22(29)21(28)20(27)17(9-24)34-23/h3-8,17,20-25,27-29H,9H2,1-2H3/t17-,20-,21+,22-,23-/m0/s1 |
| Smiles | COC1=C(C(=CC=C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O |
| Xlogp | 1.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H24O11 |
- 1. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients