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23-O-beta-D-Glucopyranosyl-25-methyldolichosterone

PubChem CID: 157009757

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Compound Synonyms 23-O-beta-D-Glucopyranosyl-25-methyldolichosterone
Topological Polar Surface Area 177.0
Hydrogen Bond Donor Count 7.0
Inchi Key NLNNWFCVCWSYSK-UOECHDJWSA-N
Rotatable Bond Count 8.0
Heavy Atom Count 45.0
Compound Name 23-O-beta-D-Glucopyranosyl-25-methyldolichosterone
Description 23-o-beta-d-glucopyranosyl-25-methyldolichosterone is a member of the class of compounds known as steroidal glycosides. Steroidal glycosides are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. 23-o-beta-d-glucopyranosyl-25-methyldolichosterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 23-o-beta-d-glucopyranosyl-25-methyldolichosterone can be found in common bean, green bean, and yellow wax bean, which makes 23-o-beta-d-glucopyranosyl-25-methyldolichosterone a potential biomarker for the consumption of these food products.
Exact Mass 638.403
Formal Charge 0.0
Monoisotopic Mass 638.403
Isotope Atom Count 0.0
Molecular Complexity 1110.0
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 638.8
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 13.0
Iupac Name (2R,3S,5S,10R,13S)-2,3-dihydroxy-17-[(2S,3R,4R)-3-hydroxy-6,6-dimethyl-5-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Total Atom Stereocenter Count 17.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C35H58O10/c1-16(27(40)31(17(2)33(3,4)5)45-32-30(43)29(42)28(41)26(15-36)44-32)19-8-9-20-18-12-23(37)22-13-24(38)25(39)14-35(22,7)21(18)10-11-34(19,20)6/h16,18-22,24-32,36,38-43H,2,8-15H2,1,3-7H3/t16-,18?,19?,20?,21?,22+,24-,25+,26+,27+,28+,29-,30+,31+,32-,34+,35+/m0/s1
Smiles C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H](C(=C)C(C)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Xlogp 3.5
Defined Bond Stereocenter Count 0.0
Molecular Formula C35H58O10

  • 1. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
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