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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
organooxygen compound > ester > carboxylic ester > acetate ester > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholestanoid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 17-hydroxy steroid > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > 3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one

Preferred term

3beta-[(beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyloxy]cholest-5-en-22-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C45H72O18

has_role

inchi

  • InChI=1S/C45H72O18/c1-20(2)7-10-28(48)21(3)45(56)32(62-42-39(59-22(4)47)38(30(50)19-58-42)63-40-36(54)33(51)29(49)18-57-40)16-27-25-9-8-23-15-24(11-13-43(23,5)26(25)12-14-44(27,45)6)60-41-37(55)35(53)34(52)31(17-46)61-41/h8,20-21,24-27,29-42,46,49-56H,7,9-19H2,1-6H3/t21-,24-,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+/m0/s1

inchikey

  • FOCIGGVGHNGKRW-SWPAXGJUSA-N

mass

  • 901.04240

monoisotopicmass

  • 900.47187

smiles

  • [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(C)=O)[C@]1(O)[C@@H](C)C(=O)CCC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • (3beta,16beta,20R)-16-{[2-O-acetyl-3-O-(beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65622

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