Term: | notoginsenoside R1 |
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Accession: | CHEBI:77149
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Definition: | A ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. |
Synonyms: | exact_synonym: | (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside |
| related_synonym: | (20S)-ginsenoside R1; Formula=C47H80O18; InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44+,45+,46+,47-/m0/s1; InChIKey=LLPWNQMSUYAGQI-OOSPGMBYSA-N; SMILES=CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| alt_id: | CHEBI:7643 |
| xref: | CAS:80418-24-2; HMDB:HMDB0035363; KEGG:C08961; KNApSAcK:C00003535 |
| xref_mesh: | MESH:C072936 |
| xref: | MetaCyc:CPD-15443; PMID:22031031; PMID:23170834; PMID:23900706; PMID:24232000; PMID:24380300; PMID:24437944; Reaxys:5723252 |
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