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sarasinoside J

Go to external page http://purl.obolibrary.org/obo/CHEBI_66173

A triterpenoid saponin isolated from the sponge Melophlus sarasinorum and has been shown to exhibit antimicrobial activity.

Term info

Label

sarasinoside J

Synonyms
  • (3beta,5alpha)-25-hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl 2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-xylopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5alpha)-25-hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl 2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-xylopyranoside [ IUPAC ]

charge

0

formula

C62H102N2O27

has obo namespace

chebi_ontology

has related synonym

3beta-O-[beta-D-glucopyranosyl(1->2)-beta-D-glucopyranosyl( 1->6)-beta-D-N-acetyl-2-amino-glucopyranosyl(1->2)- beta-D-xylopyranosyl(4->1)-beta-D-N-acetyl-2-aminogalactopyranosyl]- 25-hydroxy-30-norlanosta-8(9)-en-23-one

id

CHEBI:66173

inchi

InChI=1S/C62H102N2O27/c1-25(18-28(70)19-59(4,5)81)30-11-12-31-29-10-13-38-60(6,7)39(15-17-62(38,9)32(29)14-16-61(30,31)8)89-58-52(46(75)37(24-83-58)88-54-40(63-26(2)68)47(76)42(71)33(20-65)84-54)90-55-41(64-27(3)69)48(77)45(74)36(87-55)23-82-57-53(50(79)44(73)35(22-67)86-57)91-56-51(80)49(78)43(72)34(21-66)85-56/h25,30-31,33-58,65-67,71-81H,10-24H2,1-9H3,(H,63,68)(H,64,69)/t25-,30-,31+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51-,52-,53-,54+,55+,56+,57-,58+,61-,62-/m1/s1

inchikey

IFLLFJMUKCVLRY-KMTMZHINSA-N

mass

1307.47050

monoisotopicmass

1306.66700

smiles

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](CO[C@@]2([H])O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@]2([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]2(C)CC4)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O