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.

hydrangeifolin I

PubChem CID: 10549806

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

Compound Synonyms hydrangeifolin I, Compound NP-006165, CHEMBL511744, Benzyl alcohol beta-D-rutinoside, ACon1_002472, AKOS040739644, NCGC00169814-01, NCGC00169814-02, BRD-K77144086-001-01-4, benzyl 6-O-alpha-l-rhamnopyranosyl-beta-d-glucopyranoside, NCGC00169814-02_C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Topological Polar Surface Area 158.0
Hydrogen Bond Donor Count 6.0
Heavy Atom Count 29.0
Description Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
Isotope Atom Count 0.0
Molecular Complexity 501.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 10.0
Uniprot Id P35354
Iupac Name (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Prediction Hob 0.0
Class Organooxygen compounds
Xlogp -2.3
Superclass Organic oxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Molecular Formula C19H28O10
Prediction Swissadme 0.0
Inchi Key SMUMBCREXHTKFN-VZOUQOBNSA-N
Fcsp3 0.6842105263157895
Logs -1.601
Rotatable Bond Count 6.0
Logd -0.977
Synonyms Benzyl alcohol b-D-rutinoside, Benzyl alcohol β-D-rutinoside
Compound Name hydrangeifolin I
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 416.168
Formal Charge 0.0
Monoisotopic Mass 416.168
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 416.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Esol -0.6984260482758622
Inchi InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent O-glycosyl compounds