Flavone glycoside
PubChem CID: 5481244
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| Compound Synonyms | FLAVONE GLYCOSIDE, Chrysoeriol-7-O-.beta.-D-(6-O-acetylglucopyranosyl)(1-->3)-.beta.-D-glucopyranside, [3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-7-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate |
|---|---|
| Topological Polar Surface Area | 261.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 47.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate |
| Prediction Hob | 0.0 |
| Xlogp | -0.7 |
| Molecular Formula | C30H34O17 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBCCJKCJAPOPNY-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.821 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.253 |
| Compound Name | Flavone glycoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 666.18 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 666.18 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 666.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.600841893617025 |
| Inchi | InChI=1S/C30H34O17/c1-11(32)42-10-21-24(37)26(39)28(47-29-27(40)25(38)23(36)20(9-31)45-29)30(46-21)43-13-6-15(34)22-16(35)8-17(44-19(22)7-13)12-3-4-14(33)18(5-12)41-2/h3-8,20-21,23-31,33-34,36-40H,9-10H2,1-2H3 |
| Smiles | CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Plebeia (Plant) Rel Props:Source_db:cmaup_ingredients