Navigation

name Structure Reference Source Properties Activities Metabolism

Sarasinoside J

AlkaPlorer ID: AK015130

Synonym: None

IUPAC Name: N-[(2S,3R,4R,5R,6R)-2-[(3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Structure

SMILES: CC(O)=N[C@H]1[C@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@]4(C)C5=C(CC[C@H]4C3(C)C)[C@@H]3CC[C@H]([C@H](C)CC(=O)CC(C)(C)O)[C@@]3(C)CC5)[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

copy

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

copy

InChIKey: IFLLFJMUKCVLRY-KMTMZHINSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Melophlus sarasinorum Melophlus Ancorinidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 1307.485000000001

TPSA？: 457.77000000000015

MolLogP？: -1.8088999999999933

Number of H-Donors: 16

Number of H-Acceptors: 27

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 9.0 mm 10.1021/np050152d
Homo sapiens A549 Activity nan None 10.1016/j.bmcl.2016.12.077
Homo sapiens A549 LC50 10300.0 nM 10.1021/np300297d
Homo sapiens Huh-7 Activity nan None 10.1016/j.bmcl.2016.12.077
Homo sapiens K562 LC50 20800.0 nM 10.1021/np300297d
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition nan % 10.1016/j.bmcl.2016.12.077
Homo sapiens Sodium/potassium-transporting ATPase IC50 100.0 ug.mL-1 10.1021/np300297d
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1021/np050152d
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 13.0 mm 10.1021/np050152d

Metabolism Information