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.

Baohuoside I

PubChem CID: 5488822

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

Compound Synonyms Baohuoside I, 113558-15-9, Icariside II, BAOHUOSIDEI, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, CHEBI:82619, CHEMBL560116, 4H-1-Benzopyran-4-one, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-, Baohuoside-I, Icarlin II, 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, Icariin-II, Icariside-II, Baohuoside I (Standard), SCHEMBL4229321, GTPL10686, HY-N0011R, DTXSID40150457, Icarisid II - Bio-X trade mark, 2h44, GLXC-13027, EX-A6795, HY-N0011, BDBM50503751, AKOS037514560, CS-3673, FI73956, 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, AC-33977, AS-75062, BI300092, DA-61494, anhydroicaritin-3-O-alpha-L-rhamnopyranoside, NS00014948, Baohuoside I, Anhydroicaritin, Icariside II, Q27156136, 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranoside, 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-alpha-L-rhamnopyranoside, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
Topological Polar Surface Area 155.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 37.0
Isotope Atom Count 0.0
Molecular Complexity 874.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id O60341, O76074
Iupac Name 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Prediction Hob 0.0
Target Id NPT273
Xlogp 3.5
Molecular Formula C27H30O10
Prediction Swissadme 0.0
Inchi Key NGMYNFJANBHLKA-LVKFHIPRSA-N
Fcsp3 0.3703703703703703
Logs -3.968
Rotatable Bond Count 6.0
Logd 2.302
Compound Name Baohuoside I
Prediction Hob Swissadme 0.0
Exact Mass 514.184
Formal Charge 0.0
Monoisotopic Mass 514.184
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 514.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -4.774767400000001
Inchi InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0