| 2D Structure | |
| CID | 197977 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1 |
| InChI Key | DLUTTXMPJCVUFR-HJCIYZGTSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C51H84O22 |
| Molecular Weight | 1049.2 |
| synonyms | ['Parillin', 'Sarsasaponin', 'Smilacin', '19057-61-5', 'EINECS 242-790-1', 'NSC 106552', 'BRN 0078294', 'SMILASAPONIN', 'UNII-7913T95W7U', '7913T95W7U', '4-19-00-00836 (Beilstein Handbook Reference)', 'J15.521G', 'C08906', 'NSC-106552', '(3beta,5beta,25S)-Spirostann-3-yl-O-6-deoxy-alpha-L-mannopyranosyl-(1.4)-O-(beta-D-glucopyranosyl-(1.2))-O-(beta-D-glucopyranosyl-(1.6))-beta-D-glucopyranoside', '((25S)-5.BETA.-SPIROSTAN-3.BETA.-YL)4-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-2-O-(.BETA.-D-GLUCOPYRANOSYL)-6-O-(.BETA.-D-GLUCOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSIDE', '(3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL 6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE', '.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-', 'RefChem:170082', '((25S)-5BETA-SPIROSTAN-3BETA-YL)4-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-2-O-(BETA-D-GLUCOPYRANOSYL)-6-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE', '(3BETA,5BETA,25S)-SPIROSTAN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->4)-(BETA-D-GLUCOPYRANOSYL-(1->2))-(BETA-D-GLUCOPYRANOSYL-(1->6))-BETA-D-GLUCOPYRANOSIDE', '242-790-1', 'BETA-D-GLUCOPYRANOSIDE, (3BETA,5BETA,25S)-SPIROSTAN-3-YL O-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->4)-O-(BETA-D-GLUCOPYRANOSYL-(1->2))-O-(BETA-D-GLUCOPYRANOSYL-(1->6))-', 'beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-O-(beta-D-glucopyranosyl-(1-6))-', 'beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-O-(beta-D-glucopyranosyl-(1-6))-(9CI)', '(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol;dihydrochloride', "(2S,3R,4R,5R,6S)-2-((2R,3S,4S,5R,6R)-4-hydroxy-6-((1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxy-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triol", "(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol", 'CHEBI:7932', 'SCHEMBL29398817', 'DLUTTXMPJCVUFR-HJCIYZGTSA-N', 'beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-O-(beta-D-glucopyranosyl-(1- 6))-', 'Q27107619'] |
From Pubchem