Acacioside C
AlkaPlorer ID: AK006537
Synonym: None
IUPAC Name: (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(E)-3-phenylprop-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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](OC(=O)/C=C/C7=CC=CC=C7)C[C@]6(C(=O)O)[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/C57H83NO19/c1-28(59)58-41-45(67)44(66)34(27-73-50-47(43(65)33(61)26-72-50)77-49-46(68)42(64)32(60)25-71-49)74-48(41)76-38-19-20-54(6)35(53(38,4)5)18-21-55(7)36(54)16-15-30-31-22-52(2,3)39(75-40(63)17-14-29-12-10-9-11-13-29)24-57(31,51(69)70)37(62)23-56(30,55)8/h9-15,17,31-39,41-50,60-62,64-68H,16,18-27H2,1-8H3,(H,58,59)(H,69,70)/b17-14+/t31-,32-,33-,34+,35-,36+,37+,38-,39-,41+,42-,43-,44+,45+,46+,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1
InChIKey: ACXXXCPCILHADS-MWYXWDNYSA-N
Reference
Bioactive Saponins from <i>Acacia </i><i>te</i><i>nuifolia </i>from the Suriname Rainforest
PubChem CID: 15540913
LOTUS: LTS0147079
SuperNatural Ⅲ: SN0002229-04
NPASS: NPC120667
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acacia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1086.2790000000002
TPSA？: 313.41
MolLogP？: 3.174400000000006
Number of H-Donors: 10
Number of H-Acceptors: 18
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 13.0 | ug.mL-1 | 10.1021/np0103620 |
| Mus musculus | M109 | IC50 | nan | None | 10.1021/np0103620 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 160.0 | ug ml-1 | 10.1021/np0103620 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 215.0 | ug ml-1 | 10.1021/np0103620 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 220.0 | ug ml-1 | 10.1021/np0103620 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 275.0 | ug ml-1 | 10.1021/np0103620 |