This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Thermopsoside

PubChem CID: 11294177

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms THERMOPSOSIDE, 19993-32-9, Chrysoeriol 7-O-glucoside, Chrysoeriol-7-O-glucoside, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, Termopsoside, Chrysoeriol 7-glucoside, Chrysoeriol 7-beta-glucoside, 7-Glu Chrysoeriol, Chrysoeriol7-O-glucoside, CHEMBL486391, DTXSID20941966, HY-N6023, MFCD11975476, AKOS040757687, FS-8071, MT74542, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, DA-72202, CS-0032190, AH-214/21165017, Chrysoeriol-7-O-beta-D-glucopyranosideThermopsoside, Q63393042, Chrysoeriol-7-O-, A-D-glucopyranoside pound>>Thermopsoside, 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 175.0
Hydrogen Bond Donor Count 6.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12
Np Classifier Class Flavones
Deep Smiles OC[C@H]O[C@@H]OcccO)ccc6)occc6=O)))cccccc6)OC)))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 33.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12
Classyfire Subclass Flavonoid glycosides
Isotope Atom Count 0.0
Molecular Complexity 729.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 0.8
Gsk 4 400 Rule False
Molecular Formula C22H22O11
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12
Prediction Swissadme 0.0
Inchi Key GAMYVSCDDLXAQW-MIUGBVLSSA-N
Silicos It Class Soluble
Fcsp3 0.3181818181818182
Logs -3.938
Rotatable Bond Count 5.0
Logd 0.787
Synonyms chrysoeriol 7-glucoside, chrysoeriol-7-o-glucoside, chrysoeriol-7-β-d-glucoside, thermopsoside
Esol Class Soluble
Functional Groups CO, c=O, cO, cOC, cO[C@@H](C)OC, coc
Compound Name Thermopsoside
Prediction Hob Swissadme 0.0
Exact Mass 462.116
Formal Charge 0.0
Monoisotopic Mass 462.116
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 462.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -2.7609112787878796
Inchi InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
Smiles COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids

Back to Browse   Back to Home