Term: | 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alphahydroxy-16beta-[(O-(3-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one |
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Accession: | CHEBI:65627
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Definition: | A steroid saponin isolated from Ornithogalum thyrsoides and has been shown to exhibit cytotoxic activity. |
Synonyms: | exact_synonym: | (3beta,16beta,20R)-16-({2-O-acetyl-3-O-[3-O-(3,4-dimethoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside |
| related_synonym: | Formula=C66H100O31; InChI=1S/C66H100O31/c1-27(2)9-13-36(70)28(3)66(83)44(94-63-57(89-29(4)69)55(38(72)25-87-63)96-60-53(81)54(37(71)24-86-60)95-58(82)30-10-14-39(84-7)40(19-30)85-8)21-35-33-12-11-31-20-32(15-17-64(31,5)34(33)16-18-65(35,66)6)90-61-50(78)48(76)46(74)43(93-61)26-88-59-52(80)49(77)56(42(23-68)92-59)97-62-51(79)47(75)45(73)41(22-67)91-62/h10-11,14,19,27-28,32-35,37-38,41-57,59-63,67-68,71-81,83H,9,12-13,15-18,20-26H2,1-8H3/t28-,32-,33+,34-,35-,37+,38-,41+,42+,43+,44-,45+,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56+,57+,59+,60-,61+,62-,63-,64-,65-,66+/m0/s1; InChIKey=UJEXDLZOPXHXKV-KFZCPWQCSA-N; 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](OC(=O)c4ccc(OC)c(OC)c4)[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]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
| xref: | PMID:12398536 |
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