3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
AlkaPlorer ID: AK042275
Synonym: '', '3-O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone', 'Prosapogenin 4', '3-O-beta-D-xylopyranosyl-(1-2)-alpha-L-arabinopyranosyl-(1-6)-2-acetamid+', '3-O-alpha-L-arabinopyranosyl(1-2)-alpha-L-arabinopyranosyl(1-6)-2-aceta+', '3-O-alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone'
IUPAC Name: N-[(2R,3R,4R,5S,6R)-6-[[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[[(1R,2R,4S,5R,8R,10S,13S,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl]oxy]oxan-3-yl]acetamide
Structure
SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H]7C[C@]6(C(=O)O7)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,45+,46+,47+,48+/m0/s1
InChIKey: HCPJVMUCDGEUPL-XHQQSDJSSA-N
Reference
Triterpenoid saponins with N-acetyl sugar from the bark of Albizia procera
PubChem CID: 162972072
LOTUS: LTS0212870
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia procera | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 938.1180000000008
TPSA？: 276.11
MolLogP？: 1.3900000000000052
Number of H-Donors: 9
Number of H-Acceptors: 17
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|