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Sarasinoside R

AlkaPlorer ID: AK049947

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-6-[[(3S,5S,8S,9S,10S,14S,17R)-8,9-dihydroxy-4,4,10,14-tetramethyl-17-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-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)[C@@H](CC[C@@]5(O)[C@]4(O)CC=C4[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]45C)C3(C)C)[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]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

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InChI: InChI=1S/C62H100N2O28/c1-25(2)18-29(70)19-26(3)30-10-14-59(8)31(30)11-16-62(82)60(9)15-13-38(58(6,7)37(60)12-17-61(59,62)81)90-57-51(45(75)36(24-84-57)89-53-39(63-27(4)68)46(76)41(71)32(20-65)85-53)91-54-40(64-28(5)69)47(77)44(74)35(88-54)23-83-56-52(49(79)43(73)34(22-67)87-56)92-55-50(80)48(78)42(72)33(21-66)86-55/h11,18,26,30,32-57,65-67,71-82H,10,12-17,19-24H2,1-9H3,(H,63,68)(H,64,69)/t26-,30-,32-,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+,59+,60+,61+,62+/m1/s1

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InChIKey: JZASRPOFXGPITI-BOLCQSASSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1321.4680000000008

TPSA？: 471.0200000000001

MolLogP？: -4.5986

Number of H-Donors: 17

Number of H-Acceptors: 28

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 LC50 14700.0 nM 10.1021/np300297d
Homo sapiens K562 LC50 100000.0 nM 10.1021/np300297d
Homo sapiens Sodium/potassium-transporting ATPase IC50 100.0 ug.mL-1 10.1021/np300297d

Metabolism Information