Terminology Service for NFDI4Health
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3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one

Go to external page http://purl.obolibrary.org/obo/CHEBI_65626

A steroid saponin isolated from Ornithogalum thyrsoides and has been shown to exhibit cytotoxic activity.

Term info

Label

3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one

database cross reference
Subsets

3_STAR

charge

0

formula

C67H102O32

has obo namespace

chebi_ontology

id

CHEBI:65626

inchi

InChI=1S/C67H102O32/c1-27(2)10-13-36(71)28(3)67(84)44(96-64-58(91-29(4)70)54(38(73)25-89-64)98-63-57(45(74)37(72)24-88-63)97-59(83)30-18-39(85-7)55(87-9)40(19-30)86-8)21-35-33-12-11-31-20-32(14-16-65(31,5)34(33)15-17-66(35,67)6)92-61-51(80)49(78)47(76)43(95-61)26-90-60-53(82)50(79)56(42(23-69)94-60)99-62-52(81)48(77)46(75)41(22-68)93-62/h11,18-19,27-28,32-35,37-38,41-54,56-58,60-64,68-69,72-82,84H,10,12-17,20-26H2,1-9H3/t28-,32-,33+,34-,35-,37+,38-,41+,42+,43+,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+,54-,56+,57+,58+,60+,61+,62-,63-,64-,65-,66-,67+/m0/s1

inchikey

DZODFGYFSRVIOW-BVIHRYROSA-N

mass

1419.50760

monoisotopicmass

1418.63542

smiles

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(C3)=CC[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H]3OC(C)=O)[C@]4(O)[C@@H](C)C(=O)CCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O